USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1248 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 125 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 117 GLN : amide:sc= -0.819 K(o=-1.5,f=-14!) USER MOD Set 2.2: A 118 MET CE :methyl -111:sc= -0.67 (180deg=0) USER MOD Set 3.1: A 80 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.71) USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 68 MET CE :methyl 174:sc= -1.58 (180deg=0) USER MOD Set 4.2: A 177 SER OG : rot 15:sc= -0.925 USER MOD Set 5.1: A 67 LYS NZ :NH3+ -176:sc= -2.49! (180deg=-2.94!) USER MOD Set 5.2: A 170 SER OG : rot -150:sc= -1.49! USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.315 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.45 F(o=-1.2,f=-0.45) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 160:sc= -1.52 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -150:sc= -3.03! USER MOD Single : A 49 ASN : amide:sc=-0.00703 K(o=-0.007,f=-0.55) USER MOD Single : A 50 MET CE :methyl -132:sc= -5.39! (180deg=-5.65!) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 64 ASN : amide:sc= -0.0948 K(o=-0.095,f=-2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 77 SER OG : rot -73:sc= 0.453 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 88:sc= 0.133 USER MOD Single : A 98 TYR OH : rot 180:sc= -4.67! USER MOD Single : A 101 TYR OH : rot 180:sc= -2.54! USER MOD Single : A 103 GLN :FLIP amide:sc= -1.67 F(o=-2.4,f=-1.7) USER MOD Single : A 104 ASN : amide:sc= -0.38 K(o=-0.38,f=-2.9!) USER MOD Single : A 108 SER OG : rot 180:sc= -0.326 USER MOD Single : A 109 SER OG : rot 150:sc= -2.1! USER MOD Single : A 112 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.1!) USER MOD Single : A 119 SER OG : rot -140:sc= -0.759 USER MOD Single : A 120 THR OG1 : rot 98:sc= -2.42! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -0.0666 X(o=-0.067,f=-0.049) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN :FLIP amide:sc=-0.00134! F(o=-1.2,f=-0.0013!) USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 ASN :FLIP amide:sc= -5.87! C(o=-7.9!,f=-5.9!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 GLN : amide:sc= -3.61 X(o=-3.6,f=-3.4!) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.8!) USER MOD Single : A 160 GLN : amide:sc= -1.43 K(o=-1.4,f=-4.1!) USER MOD Single : A 162 MET CE :methyl -169:sc= -11.2! (180deg=-12.4!) USER MOD Single : A 163 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 HIS : no HD1:sc= -0.846 K(o=-0.85,f=-2.7!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 178 SER OG : rot -174:sc= -1.86! USER MOD Single : A 184 GLN : amide:sc= -0.495 K(o=-0.49,f=-3.5!) USER MOD Single : A 185 MET CE :methyl -117:sc= -0.332 (180deg=-0.991) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 19.654 12.871 0.428 1.00 1.40 N ATOM 21 CA THR A 21 20.116 11.658 -0.301 1.00 1.11 C ATOM 22 C THR A 21 18.913 10.945 -0.917 1.00 0.90 C ATOM 23 O THR A 21 17.776 11.292 -0.665 1.00 0.91 O ATOM 24 CB THR A 21 20.825 10.715 0.674 1.00 1.22 C ATOM 25 OG1 THR A 21 21.031 9.456 0.047 1.00 0.90 O ATOM 26 CG2 THR A 21 19.965 10.529 1.925 1.00 1.46 C ATOM 0 HA THR A 21 20.808 11.950 -1.091 1.00 1.11 H new ATOM 0 HB THR A 21 21.787 11.142 0.958 1.00 1.22 H new ATOM 0 HG1 THR A 21 21.487 8.851 0.669 1.00 0.90 H new ATOM 0 HG21 THR A 21 20.471 9.857 2.618 1.00 1.46 H new ATOM 0 HG22 THR A 21 19.808 11.495 2.405 1.00 1.46 H new ATOM 0 HG23 THR A 21 19.002 10.102 1.644 1.00 1.46 H new ATOM 34 N SER A 22 19.154 9.949 -1.725 1.00 0.71 N ATOM 35 CA SER A 22 18.024 9.214 -2.359 1.00 0.50 C ATOM 36 C SER A 22 17.135 8.605 -1.272 1.00 0.51 C ATOM 37 O SER A 22 15.924 8.649 -1.354 1.00 0.46 O ATOM 38 CB SER A 22 18.577 8.101 -3.248 1.00 0.43 C ATOM 39 OG SER A 22 19.304 8.678 -4.325 1.00 0.91 O ATOM 0 H SER A 22 20.084 9.613 -1.973 1.00 0.71 H new ATOM 0 HA SER A 22 17.435 9.904 -2.963 1.00 0.50 H new ATOM 0 HB2 SER A 22 19.225 7.444 -2.667 1.00 0.43 H new ATOM 0 HB3 SER A 22 17.762 7.487 -3.632 1.00 0.43 H new ATOM 0 HG SER A 22 19.662 7.967 -4.896 1.00 0.91 H new ATOM 45 N SER A 23 17.724 8.036 -0.256 1.00 0.60 N ATOM 46 CA SER A 23 16.904 7.426 0.830 1.00 0.65 C ATOM 47 C SER A 23 16.008 8.495 1.457 1.00 0.60 C ATOM 48 O SER A 23 14.847 8.260 1.728 1.00 0.49 O ATOM 49 CB SER A 23 17.825 6.837 1.900 1.00 0.89 C ATOM 50 OG SER A 23 17.038 6.331 2.970 1.00 1.46 O ATOM 0 H SER A 23 18.734 7.967 -0.131 1.00 0.60 H new ATOM 0 HA SER A 23 16.283 6.633 0.412 1.00 0.65 H new ATOM 0 HB2 SER A 23 18.434 6.040 1.473 1.00 0.89 H new ATOM 0 HB3 SER A 23 18.510 7.601 2.267 1.00 0.89 H new ATOM 0 HG SER A 23 17.625 5.951 3.657 1.00 1.46 H new ATOM 56 N GLU A 24 16.529 9.671 1.684 1.00 0.72 N ATOM 57 CA GLU A 24 15.690 10.746 2.284 1.00 0.76 C ATOM 58 C GLU A 24 14.545 11.070 1.324 1.00 0.63 C ATOM 59 O GLU A 24 13.459 11.427 1.734 1.00 0.65 O ATOM 60 CB GLU A 24 16.541 11.999 2.515 1.00 0.92 C ATOM 61 CG GLU A 24 17.265 11.885 3.859 1.00 0.55 C ATOM 62 CD GLU A 24 16.799 13.007 4.789 1.00 1.15 C ATOM 63 OE1 GLU A 24 15.621 13.323 4.759 1.00 1.71 O ATOM 64 OE2 GLU A 24 17.627 13.531 5.515 1.00 1.80 O ATOM 0 H GLU A 24 17.494 9.932 1.481 1.00 0.72 H new ATOM 0 HA GLU A 24 15.288 10.411 3.240 1.00 0.76 H new ATOM 0 HB2 GLU A 24 17.265 12.113 1.708 1.00 0.92 H new ATOM 0 HB3 GLU A 24 15.909 12.887 2.504 1.00 0.92 H new ATOM 0 HG2 GLU A 24 17.061 10.915 4.312 1.00 0.55 H new ATOM 0 HG3 GLU A 24 18.343 11.947 3.709 1.00 0.55 H new ATOM 71 N ARG A 25 14.776 10.932 0.046 1.00 0.52 N ATOM 72 CA ARG A 25 13.696 11.215 -0.940 1.00 0.45 C ATOM 73 C ARG A 25 12.692 10.061 -0.913 1.00 0.30 C ATOM 74 O ARG A 25 11.538 10.226 -1.242 1.00 0.42 O ATOM 75 CB ARG A 25 14.298 11.341 -2.342 1.00 0.43 C ATOM 76 CG ARG A 25 14.203 12.796 -2.809 1.00 0.91 C ATOM 77 CD ARG A 25 13.847 12.834 -4.295 1.00 1.72 C ATOM 78 NE ARG A 25 13.885 14.242 -4.778 1.00 2.00 N ATOM 79 CZ ARG A 25 12.866 15.031 -4.570 1.00 2.95 C ATOM 80 NH1 ARG A 25 12.668 15.541 -3.385 1.00 3.34 N ATOM 81 NH2 ARG A 25 12.044 15.310 -5.546 1.00 4.05 N ATOM 0 H ARG A 25 15.665 10.636 -0.357 1.00 0.52 H new ATOM 0 HA ARG A 25 13.195 12.149 -0.684 1.00 0.45 H new ATOM 0 HB2 ARG A 25 15.339 11.018 -2.333 1.00 0.43 H new ATOM 0 HB3 ARG A 25 13.768 10.689 -3.037 1.00 0.43 H new ATOM 0 HG2 ARG A 25 13.447 13.326 -2.230 1.00 0.91 H new ATOM 0 HG3 ARG A 25 15.151 13.306 -2.638 1.00 0.91 H new ATOM 0 HD2 ARG A 25 14.549 12.224 -4.864 1.00 1.72 H new ATOM 0 HD3 ARG A 25 12.855 12.410 -4.453 1.00 1.72 H new ATOM 0 HE ARG A 25 14.707 14.590 -5.271 1.00 2.00 H new ATOM 0 HH11 ARG A 25 13.309 15.323 -2.622 1.00 3.34 H new ATOM 0 HH12 ARG A 25 11.872 16.158 -3.222 1.00 3.34 H new ATOM 0 HH21 ARG A 25 12.198 14.911 -6.472 1.00 4.05 H new ATOM 0 HH22 ARG A 25 11.248 15.927 -5.382 1.00 4.05 H new ATOM 95 N ILE A 26 13.123 8.895 -0.509 1.00 0.18 N ATOM 96 CA ILE A 26 12.190 7.737 -0.441 1.00 0.13 C ATOM 97 C ILE A 26 11.155 8.017 0.654 1.00 0.19 C ATOM 98 O ILE A 26 9.963 7.956 0.433 1.00 0.31 O ATOM 99 CB ILE A 26 12.981 6.464 -0.096 1.00 0.45 C ATOM 100 CG1 ILE A 26 13.879 6.080 -1.283 1.00 0.80 C ATOM 101 CG2 ILE A 26 12.020 5.311 0.226 1.00 0.25 C ATOM 102 CD1 ILE A 26 13.031 5.576 -2.460 1.00 0.59 C ATOM 0 H ILE A 26 14.082 8.697 -0.223 1.00 0.18 H new ATOM 0 HA ILE A 26 11.690 7.594 -1.399 1.00 0.13 H new ATOM 0 HB ILE A 26 13.600 6.657 0.780 1.00 0.45 H new ATOM 0 HG12 ILE A 26 14.468 6.943 -1.595 1.00 0.80 H new ATOM 0 HG13 ILE A 26 14.584 5.307 -0.978 1.00 0.80 H new ATOM 0 HG21 ILE A 26 12.593 4.416 0.468 1.00 0.25 H new ATOM 0 HG22 ILE A 26 11.396 5.584 1.077 1.00 0.25 H new ATOM 0 HG23 ILE A 26 11.387 5.113 -0.639 1.00 0.25 H new ATOM 0 HD11 ILE A 26 13.684 5.309 -3.291 1.00 0.59 H new ATOM 0 HD12 ILE A 26 12.462 4.700 -2.150 1.00 0.59 H new ATOM 0 HD13 ILE A 26 12.344 6.361 -2.776 1.00 0.59 H new ATOM 114 N ASP A 27 11.613 8.326 1.834 1.00 0.19 N ATOM 115 CA ASP A 27 10.675 8.614 2.954 1.00 0.33 C ATOM 116 C ASP A 27 9.795 9.816 2.595 1.00 0.37 C ATOM 117 O ASP A 27 8.591 9.786 2.758 1.00 0.48 O ATOM 118 CB ASP A 27 11.485 8.932 4.214 1.00 0.38 C ATOM 119 CG ASP A 27 10.537 9.213 5.379 1.00 0.53 C ATOM 120 OD1 ASP A 27 9.949 10.282 5.394 1.00 1.07 O ATOM 121 OD2 ASP A 27 10.416 8.357 6.239 1.00 0.92 O ATOM 0 H ASP A 27 12.603 8.392 2.072 1.00 0.19 H new ATOM 0 HA ASP A 27 10.040 7.746 3.132 1.00 0.33 H new ATOM 0 HB2 ASP A 27 12.139 8.095 4.458 1.00 0.38 H new ATOM 0 HB3 ASP A 27 12.126 9.796 4.038 1.00 0.38 H new ATOM 126 N LYS A 28 10.389 10.876 2.118 1.00 0.32 N ATOM 127 CA LYS A 28 9.602 12.084 1.760 1.00 0.43 C ATOM 128 C LYS A 28 8.568 11.751 0.682 1.00 0.43 C ATOM 129 O LYS A 28 7.521 12.363 0.606 1.00 0.53 O ATOM 130 CB LYS A 28 10.554 13.166 1.226 1.00 0.46 C ATOM 131 CG LYS A 28 10.646 14.326 2.221 1.00 1.10 C ATOM 132 CD LYS A 28 9.240 14.816 2.557 1.00 1.68 C ATOM 133 CE LYS A 28 9.195 16.344 2.501 1.00 1.83 C ATOM 134 NZ LYS A 28 9.766 16.904 3.759 1.00 3.27 N ATOM 0 H LYS A 28 11.394 10.955 1.961 1.00 0.32 H new ATOM 0 HA LYS A 28 9.083 12.442 2.649 1.00 0.43 H new ATOM 0 HB2 LYS A 28 11.544 12.740 1.060 1.00 0.46 H new ATOM 0 HB3 LYS A 28 10.198 13.531 0.263 1.00 0.46 H new ATOM 0 HG2 LYS A 28 11.157 14.003 3.128 1.00 1.10 H new ATOM 0 HG3 LYS A 28 11.235 15.139 1.796 1.00 1.10 H new ATOM 0 HD2 LYS A 28 8.521 14.396 1.853 1.00 1.68 H new ATOM 0 HD3 LYS A 28 8.953 14.471 3.550 1.00 1.68 H new ATOM 0 HE2 LYS A 28 9.760 16.704 1.641 1.00 1.83 H new ATOM 0 HE3 LYS A 28 8.167 16.684 2.373 1.00 1.83 H new ATOM 0 HZ1 LYS A 28 9.736 17.943 3.722 1.00 3.27 H new ATOM 0 HZ2 LYS A 28 9.209 16.570 4.572 1.00 3.27 H new ATOM 0 HZ3 LYS A 28 10.752 16.590 3.863 1.00 3.27 H new ATOM 148 N GLN A 29 8.855 10.800 -0.159 1.00 0.33 N ATOM 149 CA GLN A 29 7.889 10.445 -1.237 1.00 0.33 C ATOM 150 C GLN A 29 6.712 9.669 -0.645 1.00 0.37 C ATOM 151 O GLN A 29 5.582 9.810 -1.078 1.00 0.39 O ATOM 152 CB GLN A 29 8.592 9.581 -2.285 1.00 0.28 C ATOM 153 CG GLN A 29 8.165 10.022 -3.686 1.00 0.92 C ATOM 154 CD GLN A 29 8.652 11.449 -3.942 1.00 0.76 C ATOM 155 OE1 GLN A 29 7.845 12.451 -3.723 1.00 1.48 O flip ATOM 156 NE2 GLN A 29 9.780 11.654 -4.346 1.00 1.82 N flip ATOM 0 H GLN A 29 9.715 10.252 -0.148 1.00 0.33 H new ATOM 0 HA GLN A 29 7.519 11.358 -1.703 1.00 0.33 H new ATOM 0 HB2 GLN A 29 9.673 9.671 -2.179 1.00 0.28 H new ATOM 0 HB3 GLN A 29 8.343 8.531 -2.132 1.00 0.28 H new ATOM 0 HG2 GLN A 29 8.579 9.345 -4.434 1.00 0.92 H new ATOM 0 HG3 GLN A 29 7.080 9.974 -3.779 1.00 0.92 H new ATOM 0 HE21 GLN A 29 10.411 10.871 -4.517 1.00 1.82 H new ATOM 0 HE22 GLN A 29 10.096 12.609 -4.514 1.00 1.82 H new ATOM 165 N ILE A 30 6.955 8.858 0.348 1.00 0.38 N ATOM 166 CA ILE A 30 5.827 8.097 0.948 1.00 0.41 C ATOM 167 C ILE A 30 4.958 9.071 1.733 1.00 0.44 C ATOM 168 O ILE A 30 3.764 8.898 1.840 1.00 0.41 O ATOM 169 CB ILE A 30 6.347 6.991 1.868 1.00 0.40 C ATOM 170 CG1 ILE A 30 7.139 5.973 1.041 1.00 0.42 C ATOM 171 CG2 ILE A 30 5.166 6.294 2.537 1.00 0.49 C ATOM 172 CD1 ILE A 30 7.582 4.811 1.934 1.00 0.89 C ATOM 0 H ILE A 30 7.872 8.692 0.764 1.00 0.38 H new ATOM 0 HA ILE A 30 5.243 7.623 0.159 1.00 0.41 H new ATOM 0 HB ILE A 30 6.995 7.423 2.631 1.00 0.40 H new ATOM 0 HG12 ILE A 30 6.525 5.600 0.221 1.00 0.42 H new ATOM 0 HG13 ILE A 30 8.010 6.453 0.594 1.00 0.42 H new ATOM 0 HG21 ILE A 30 5.533 5.505 3.193 1.00 0.49 H new ATOM 0 HG22 ILE A 30 4.600 7.019 3.122 1.00 0.49 H new ATOM 0 HG23 ILE A 30 4.520 5.860 1.774 1.00 0.49 H new ATOM 0 HD11 ILE A 30 8.145 4.090 1.341 1.00 0.89 H new ATOM 0 HD12 ILE A 30 8.213 5.190 2.738 1.00 0.89 H new ATOM 0 HD13 ILE A 30 6.705 4.324 2.360 1.00 0.89 H new ATOM 184 N ARG A 31 5.540 10.115 2.263 1.00 0.52 N ATOM 185 CA ARG A 31 4.724 11.110 3.010 1.00 0.56 C ATOM 186 C ARG A 31 3.617 11.605 2.077 1.00 0.50 C ATOM 187 O ARG A 31 2.531 11.953 2.502 1.00 0.49 O ATOM 188 CB ARG A 31 5.611 12.280 3.443 1.00 0.64 C ATOM 189 CG ARG A 31 5.043 12.905 4.719 1.00 0.43 C ATOM 190 CD ARG A 31 4.102 14.055 4.352 1.00 1.48 C ATOM 191 NE ARG A 31 4.191 15.121 5.392 1.00 1.30 N ATOM 192 CZ ARG A 31 4.865 16.214 5.154 1.00 1.81 C ATOM 193 NH1 ARG A 31 5.856 16.199 4.304 1.00 2.46 N ATOM 194 NH2 ARG A 31 4.549 17.323 5.765 1.00 2.35 N ATOM 0 H ARG A 31 6.538 10.319 2.210 1.00 0.52 H new ATOM 0 HA ARG A 31 4.289 10.659 3.902 1.00 0.56 H new ATOM 0 HB2 ARG A 31 6.630 11.933 3.617 1.00 0.64 H new ATOM 0 HB3 ARG A 31 5.660 13.026 2.650 1.00 0.64 H new ATOM 0 HG2 ARG A 31 4.506 12.153 5.297 1.00 0.43 H new ATOM 0 HG3 ARG A 31 5.854 13.272 5.349 1.00 0.43 H new ATOM 0 HD2 ARG A 31 4.369 14.461 3.376 1.00 1.48 H new ATOM 0 HD3 ARG A 31 3.077 13.691 4.276 1.00 1.48 H new ATOM 0 HE ARG A 31 3.725 14.996 6.290 1.00 1.30 H new ATOM 0 HH11 ARG A 31 6.104 15.333 3.825 1.00 2.46 H new ATOM 0 HH12 ARG A 31 6.382 17.053 4.119 1.00 2.46 H new ATOM 0 HH21 ARG A 31 3.775 17.337 6.429 1.00 2.35 H new ATOM 0 HH22 ARG A 31 5.076 18.176 5.578 1.00 2.35 H new ATOM 208 N TYR A 32 3.883 11.599 0.797 1.00 0.46 N ATOM 209 CA TYR A 32 2.856 12.025 -0.187 1.00 0.42 C ATOM 210 C TYR A 32 1.878 10.868 -0.372 1.00 0.32 C ATOM 211 O TYR A 32 0.686 11.056 -0.514 1.00 0.29 O ATOM 212 CB TYR A 32 3.532 12.338 -1.525 1.00 0.44 C ATOM 213 CG TYR A 32 3.134 13.717 -1.990 1.00 0.43 C ATOM 214 CD1 TYR A 32 3.754 14.845 -1.442 1.00 1.64 C ATOM 215 CD2 TYR A 32 2.151 13.868 -2.976 1.00 1.38 C ATOM 216 CE1 TYR A 32 3.390 16.124 -1.876 1.00 1.85 C ATOM 217 CE2 TYR A 32 1.786 15.146 -3.410 1.00 1.20 C ATOM 218 CZ TYR A 32 2.406 16.275 -2.862 1.00 0.67 C ATOM 219 OH TYR A 32 2.047 17.537 -3.290 1.00 0.84 O ATOM 0 H TYR A 32 4.775 11.315 0.393 1.00 0.46 H new ATOM 0 HA TYR A 32 2.335 12.915 0.165 1.00 0.42 H new ATOM 0 HB2 TYR A 32 4.615 12.279 -1.418 1.00 0.44 H new ATOM 0 HB3 TYR A 32 3.245 11.596 -2.270 1.00 0.44 H new ATOM 0 HD1 TYR A 32 4.514 14.728 -0.684 1.00 1.64 H new ATOM 0 HD2 TYR A 32 1.675 12.997 -3.401 1.00 1.38 H new ATOM 0 HE1 TYR A 32 3.867 16.995 -1.451 1.00 1.85 H new ATOM 0 HE2 TYR A 32 1.026 15.262 -4.168 1.00 1.20 H new ATOM 0 HH TYR A 32 1.352 17.464 -3.977 1.00 0.84 H new ATOM 229 N ILE A 33 2.385 9.663 -0.365 1.00 0.29 N ATOM 230 CA ILE A 33 1.497 8.479 -0.534 1.00 0.21 C ATOM 231 C ILE A 33 0.374 8.519 0.509 1.00 0.21 C ATOM 232 O ILE A 33 -0.779 8.308 0.197 1.00 0.18 O ATOM 233 CB ILE A 33 2.312 7.197 -0.358 1.00 0.22 C ATOM 234 CG1 ILE A 33 3.414 7.147 -1.419 1.00 0.20 C ATOM 235 CG2 ILE A 33 1.393 5.986 -0.530 1.00 0.17 C ATOM 236 CD1 ILE A 33 4.254 5.884 -1.225 1.00 0.22 C ATOM 0 H ILE A 33 3.376 9.449 -0.249 1.00 0.29 H new ATOM 0 HA ILE A 33 1.061 8.498 -1.533 1.00 0.21 H new ATOM 0 HB ILE A 33 2.759 7.182 0.636 1.00 0.22 H new ATOM 0 HG12 ILE A 33 2.974 7.154 -2.416 1.00 0.20 H new ATOM 0 HG13 ILE A 33 4.046 8.032 -1.344 1.00 0.20 H new ATOM 0 HG21 ILE A 33 1.971 5.070 -0.405 1.00 0.17 H new ATOM 0 HG22 ILE A 33 0.602 6.021 0.219 1.00 0.17 H new ATOM 0 HG23 ILE A 33 0.951 6.003 -1.526 1.00 0.17 H new ATOM 0 HD11 ILE A 33 5.038 5.849 -1.981 1.00 0.22 H new ATOM 0 HD12 ILE A 33 4.706 5.896 -0.233 1.00 0.22 H new ATOM 0 HD13 ILE A 33 3.617 5.005 -1.322 1.00 0.22 H new ATOM 248 N LEU A 34 0.703 8.783 1.745 1.00 0.26 N ATOM 249 CA LEU A 34 -0.340 8.827 2.812 1.00 0.26 C ATOM 250 C LEU A 34 -1.233 10.058 2.625 1.00 0.26 C ATOM 251 O LEU A 34 -2.440 9.975 2.729 1.00 0.25 O ATOM 252 CB LEU A 34 0.339 8.896 4.182 1.00 0.28 C ATOM 253 CG LEU A 34 0.197 7.550 4.896 1.00 0.31 C ATOM 254 CD1 LEU A 34 1.119 6.524 4.236 1.00 0.49 C ATOM 255 CD2 LEU A 34 0.586 7.708 6.368 1.00 0.39 C ATOM 0 H LEU A 34 1.654 8.971 2.064 1.00 0.26 H new ATOM 0 HA LEU A 34 -0.954 7.929 2.748 1.00 0.26 H new ATOM 0 HB2 LEU A 34 1.393 9.147 4.064 1.00 0.28 H new ATOM 0 HB3 LEU A 34 -0.111 9.686 4.782 1.00 0.28 H new ATOM 0 HG LEU A 34 -0.837 7.211 4.827 1.00 0.31 H new ATOM 0 HD11 LEU A 34 1.019 5.565 4.744 1.00 0.49 H new ATOM 0 HD12 LEU A 34 0.845 6.410 3.187 1.00 0.49 H new ATOM 0 HD13 LEU A 34 2.152 6.865 4.306 1.00 0.49 H new ATOM 0 HD21 LEU A 34 0.485 6.749 6.876 1.00 0.39 H new ATOM 0 HD22 LEU A 34 1.619 8.048 6.437 1.00 0.39 H new ATOM 0 HD23 LEU A 34 -0.069 8.440 6.841 1.00 0.39 H new ATOM 267 N ASP A 35 -0.658 11.201 2.346 1.00 0.28 N ATOM 268 CA ASP A 35 -1.495 12.423 2.152 1.00 0.28 C ATOM 269 C ASP A 35 -2.577 12.117 1.123 1.00 0.25 C ATOM 270 O ASP A 35 -3.662 12.663 1.156 1.00 0.27 O ATOM 271 CB ASP A 35 -0.620 13.577 1.655 1.00 0.31 C ATOM 272 CG ASP A 35 -1.068 14.878 2.322 1.00 0.75 C ATOM 273 OD1 ASP A 35 -1.997 15.490 1.820 1.00 1.93 O ATOM 274 OD2 ASP A 35 -0.475 15.241 3.325 1.00 0.76 O ATOM 0 H ASP A 35 0.347 11.340 2.245 1.00 0.28 H new ATOM 0 HA ASP A 35 -1.954 12.711 3.098 1.00 0.28 H new ATOM 0 HB2 ASP A 35 0.427 13.379 1.885 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -0.697 13.666 0.571 1.00 0.31 H new ATOM 279 N GLY A 36 -2.292 11.221 0.223 1.00 0.21 N ATOM 280 CA GLY A 36 -3.301 10.845 -0.794 1.00 0.19 C ATOM 281 C GLY A 36 -4.336 9.937 -0.132 1.00 0.17 C ATOM 282 O GLY A 36 -5.524 10.137 -0.257 1.00 0.16 O ATOM 0 H GLY A 36 -1.399 10.733 0.150 1.00 0.21 H new ATOM 0 HA2 GLY A 36 -3.781 11.736 -1.199 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -2.825 10.332 -1.629 1.00 0.19 H new ATOM 286 N ILE A 37 -3.882 8.939 0.578 1.00 0.16 N ATOM 287 CA ILE A 37 -4.819 8.000 1.262 1.00 0.14 C ATOM 288 C ILE A 37 -5.807 8.771 2.141 1.00 0.16 C ATOM 289 O ILE A 37 -6.867 8.274 2.469 1.00 0.13 O ATOM 290 CB ILE A 37 -4.032 7.033 2.146 1.00 0.14 C ATOM 291 CG1 ILE A 37 -3.014 6.270 1.298 1.00 0.14 C ATOM 292 CG2 ILE A 37 -5.001 6.041 2.791 1.00 0.13 C ATOM 293 CD1 ILE A 37 -3.745 5.475 0.218 1.00 0.13 C ATOM 0 H ILE A 37 -2.893 8.732 0.715 1.00 0.16 H new ATOM 0 HA ILE A 37 -5.367 7.449 0.497 1.00 0.14 H new ATOM 0 HB ILE A 37 -3.507 7.593 2.920 1.00 0.14 H new ATOM 0 HG12 ILE A 37 -2.312 6.966 0.840 1.00 0.14 H new ATOM 0 HG13 ILE A 37 -2.431 5.598 1.928 1.00 0.14 H new ATOM 0 HG21 ILE A 37 -4.445 5.348 3.423 1.00 0.13 H new ATOM 0 HG22 ILE A 37 -5.727 6.583 3.397 1.00 0.13 H new ATOM 0 HG23 ILE A 37 -5.523 5.484 2.013 1.00 0.13 H new ATOM 0 HD11 ILE A 37 -3.020 4.931 -0.387 1.00 0.13 H new ATOM 0 HD12 ILE A 37 -4.429 4.768 0.687 1.00 0.13 H new ATOM 0 HD13 ILE A 37 -4.308 6.158 -0.418 1.00 0.13 H new ATOM 305 N SER A 38 -5.482 9.975 2.525 1.00 0.21 N ATOM 306 CA SER A 38 -6.426 10.748 3.372 1.00 0.22 C ATOM 307 C SER A 38 -7.634 11.071 2.513 1.00 0.22 C ATOM 308 O SER A 38 -8.772 10.894 2.907 1.00 0.22 O ATOM 309 CB SER A 38 -5.761 12.041 3.846 1.00 0.26 C ATOM 310 OG SER A 38 -6.472 12.551 4.965 1.00 1.01 O ATOM 0 H SER A 38 -4.611 10.451 2.290 1.00 0.21 H new ATOM 0 HA SER A 38 -6.718 10.175 4.252 1.00 0.22 H new ATOM 0 HB2 SER A 38 -4.722 11.851 4.116 1.00 0.26 H new ATOM 0 HB3 SER A 38 -5.752 12.775 3.041 1.00 0.26 H new ATOM 0 HG SER A 38 -6.047 13.379 5.273 1.00 1.01 H new ATOM 316 N ALA A 39 -7.384 11.514 1.316 1.00 0.23 N ATOM 317 CA ALA A 39 -8.498 11.821 0.399 1.00 0.24 C ATOM 318 C ALA A 39 -9.052 10.509 -0.161 1.00 0.20 C ATOM 319 O ALA A 39 -10.129 10.469 -0.722 1.00 0.22 O ATOM 320 CB ALA A 39 -8.000 12.704 -0.747 1.00 0.27 C ATOM 0 H ALA A 39 -6.451 11.675 0.937 1.00 0.23 H new ATOM 0 HA ALA A 39 -9.282 12.354 0.937 1.00 0.24 H new ATOM 0 HB1 ALA A 39 -8.827 12.927 -1.421 1.00 0.27 H new ATOM 0 HB2 ALA A 39 -7.601 13.634 -0.343 1.00 0.27 H new ATOM 0 HB3 ALA A 39 -7.217 12.181 -1.295 1.00 0.27 H new ATOM 326 N LEU A 40 -8.324 9.429 -0.009 1.00 0.17 N ATOM 327 CA LEU A 40 -8.815 8.127 -0.530 1.00 0.14 C ATOM 328 C LEU A 40 -9.421 7.304 0.609 1.00 0.14 C ATOM 329 O LEU A 40 -9.909 6.213 0.398 1.00 0.21 O ATOM 330 CB LEU A 40 -7.664 7.343 -1.157 1.00 0.17 C ATOM 331 CG LEU A 40 -6.885 8.244 -2.113 1.00 0.16 C ATOM 332 CD1 LEU A 40 -5.476 7.688 -2.300 1.00 0.40 C ATOM 333 CD2 LEU A 40 -7.598 8.285 -3.461 1.00 0.34 C ATOM 0 H LEU A 40 -7.415 9.398 0.452 1.00 0.17 H new ATOM 0 HA LEU A 40 -9.576 8.320 -1.286 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -7.002 6.965 -0.378 1.00 0.17 H new ATOM 0 HB3 LEU A 40 -8.051 6.477 -1.693 1.00 0.17 H new ATOM 0 HG LEU A 40 -6.826 9.251 -1.700 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.919 8.330 -2.982 1.00 0.40 H new ATOM 0 HD12 LEU A 40 -4.967 7.654 -1.337 1.00 0.40 H new ATOM 0 HD13 LEU A 40 -5.534 6.682 -2.715 1.00 0.40 H new ATOM 0 HD21 LEU A 40 -7.045 8.927 -4.146 1.00 0.34 H new ATOM 0 HD22 LEU A 40 -7.654 7.278 -3.874 1.00 0.34 H new ATOM 0 HD23 LEU A 40 -8.605 8.679 -3.328 1.00 0.34 H new ATOM 345 N ARG A 41 -9.398 7.812 1.811 1.00 0.13 N ATOM 346 CA ARG A 41 -9.985 7.048 2.941 1.00 0.13 C ATOM 347 C ARG A 41 -10.990 7.925 3.694 1.00 0.17 C ATOM 348 O ARG A 41 -11.614 7.487 4.636 1.00 0.19 O ATOM 349 CB ARG A 41 -8.879 6.607 3.897 1.00 0.16 C ATOM 350 CG ARG A 41 -9.374 5.413 4.714 1.00 0.27 C ATOM 351 CD ARG A 41 -8.311 5.015 5.739 1.00 0.31 C ATOM 352 NE ARG A 41 -8.879 5.127 7.113 1.00 0.22 N ATOM 353 CZ ARG A 41 -8.093 5.370 8.125 1.00 0.69 C ATOM 354 NH1 ARG A 41 -7.251 4.459 8.529 1.00 1.55 N ATOM 355 NH2 ARG A 41 -8.150 6.523 8.734 1.00 1.55 N ATOM 0 H ARG A 41 -9.000 8.719 2.056 1.00 0.13 H new ATOM 0 HA ARG A 41 -10.496 6.169 2.548 1.00 0.13 H new ATOM 0 HB2 ARG A 41 -7.984 6.335 3.337 1.00 0.16 H new ATOM 0 HB3 ARG A 41 -8.604 7.428 4.559 1.00 0.16 H new ATOM 0 HG2 ARG A 41 -10.305 5.667 5.221 1.00 0.27 H new ATOM 0 HG3 ARG A 41 -9.590 4.573 4.054 1.00 0.27 H new ATOM 0 HD2 ARG A 41 -7.977 3.994 5.554 1.00 0.31 H new ATOM 0 HD3 ARG A 41 -7.437 5.659 5.641 1.00 0.31 H new ATOM 0 HE ARG A 41 -9.882 5.014 7.261 1.00 0.22 H new ATOM 0 HH11 ARG A 41 -7.208 3.558 8.053 1.00 1.55 H new ATOM 0 HH12 ARG A 41 -6.636 4.648 9.320 1.00 1.55 H new ATOM 0 HH21 ARG A 41 -8.809 7.234 8.419 1.00 1.55 H new ATOM 0 HH22 ARG A 41 -7.535 6.713 9.525 1.00 1.55 H new ATOM 369 N LYS A 42 -11.162 9.158 3.288 1.00 0.23 N ATOM 370 CA LYS A 42 -12.136 10.037 3.984 1.00 0.31 C ATOM 371 C LYS A 42 -13.514 9.827 3.364 1.00 0.38 C ATOM 372 O LYS A 42 -14.505 9.662 4.050 1.00 0.50 O ATOM 373 CB LYS A 42 -11.714 11.495 3.810 1.00 0.28 C ATOM 374 CG LYS A 42 -12.658 12.398 4.607 1.00 0.77 C ATOM 375 CD LYS A 42 -11.837 13.392 5.429 1.00 0.45 C ATOM 376 CE LYS A 42 -12.393 14.802 5.228 1.00 1.02 C ATOM 377 NZ LYS A 42 -11.298 15.797 5.404 1.00 1.26 N ATOM 0 H LYS A 42 -10.669 9.589 2.506 1.00 0.23 H new ATOM 0 HA LYS A 42 -12.167 9.795 5.046 1.00 0.31 H new ATOM 0 HB2 LYS A 42 -10.688 11.631 4.152 1.00 0.28 H new ATOM 0 HB3 LYS A 42 -11.737 11.768 2.755 1.00 0.28 H new ATOM 0 HG2 LYS A 42 -13.325 12.932 3.931 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -13.286 11.796 5.265 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -11.872 13.123 6.485 1.00 0.45 H new ATOM 0 HD3 LYS A 42 -10.791 13.355 5.125 1.00 0.45 H new ATOM 0 HE2 LYS A 42 -12.827 14.895 4.232 1.00 1.02 H new ATOM 0 HE3 LYS A 42 -13.193 14.995 5.943 1.00 1.02 H new ATOM 0 HZ1 LYS A 42 -11.675 16.756 5.267 1.00 1.26 H new ATOM 0 HZ2 LYS A 42 -10.904 15.713 6.363 1.00 1.26 H new ATOM 0 HZ3 LYS A 42 -10.549 15.617 4.705 1.00 1.26 H new ATOM 391 N GLU A 43 -13.578 9.811 2.062 1.00 0.35 N ATOM 392 CA GLU A 43 -14.878 9.596 1.383 1.00 0.44 C ATOM 393 C GLU A 43 -15.252 8.126 1.528 1.00 0.37 C ATOM 394 O GLU A 43 -16.408 7.767 1.696 1.00 0.63 O ATOM 395 CB GLU A 43 -14.739 9.950 -0.102 1.00 0.49 C ATOM 396 CG GLU A 43 -15.362 11.324 -0.364 1.00 0.88 C ATOM 397 CD GLU A 43 -16.788 11.147 -0.887 1.00 0.54 C ATOM 398 OE1 GLU A 43 -17.528 10.384 -0.289 1.00 1.83 O ATOM 399 OE2 GLU A 43 -17.116 11.779 -1.878 1.00 0.84 O ATOM 0 H GLU A 43 -12.780 9.939 1.439 1.00 0.35 H new ATOM 0 HA GLU A 43 -15.650 10.225 1.827 1.00 0.44 H new ATOM 0 HB2 GLU A 43 -13.687 9.956 -0.388 1.00 0.49 H new ATOM 0 HB3 GLU A 43 -15.231 9.194 -0.714 1.00 0.49 H new ATOM 0 HG2 GLU A 43 -15.370 11.912 0.554 1.00 0.88 H new ATOM 0 HG3 GLU A 43 -14.763 11.874 -1.090 1.00 0.88 H new ATOM 406 N THR A 44 -14.269 7.270 1.472 1.00 0.10 N ATOM 407 CA THR A 44 -14.540 5.819 1.610 1.00 0.16 C ATOM 408 C THR A 44 -15.087 5.550 3.012 1.00 0.75 C ATOM 409 O THR A 44 -16.166 5.028 3.165 1.00 2.36 O ATOM 410 CB THR A 44 -13.254 5.014 1.369 1.00 1.07 C ATOM 411 OG1 THR A 44 -12.428 5.065 2.522 1.00 2.86 O ATOM 412 CG2 THR A 44 -12.499 5.596 0.171 1.00 0.59 C ATOM 0 H THR A 44 -13.289 7.517 1.336 1.00 0.10 H new ATOM 0 HA THR A 44 -15.276 5.509 0.868 1.00 0.16 H new ATOM 0 HB THR A 44 -13.517 3.976 1.163 1.00 1.07 H new ATOM 0 HG1 THR A 44 -11.790 4.321 2.501 1.00 2.86 H new ATOM 0 HG21 THR A 44 -11.587 5.023 0.002 1.00 0.59 H new ATOM 0 HG22 THR A 44 -13.130 5.544 -0.717 1.00 0.59 H new ATOM 0 HG23 THR A 44 -12.242 6.636 0.373 1.00 0.59 H new ATOM 420 N CYS A 45 -14.361 5.917 4.039 1.00 0.38 N ATOM 421 CA CYS A 45 -14.851 5.696 5.438 1.00 0.47 C ATOM 422 C CYS A 45 -16.292 6.201 5.556 1.00 1.03 C ATOM 423 O CYS A 45 -17.130 5.569 6.168 1.00 1.31 O ATOM 424 CB CYS A 45 -13.972 6.464 6.430 1.00 1.40 C ATOM 425 SG CYS A 45 -12.982 5.297 7.402 1.00 1.14 S ATOM 0 H CYS A 45 -13.446 6.362 3.970 1.00 0.38 H new ATOM 0 HA CYS A 45 -14.807 4.631 5.665 1.00 0.47 H new ATOM 0 HB2 CYS A 45 -13.318 7.152 5.894 1.00 1.40 H new ATOM 0 HB3 CYS A 45 -14.595 7.066 7.092 1.00 1.40 H new ATOM 0 HG CYS A 45 -12.236 5.954 8.240 1.00 1.14 H new ATOM 430 N ASN A 46 -16.597 7.332 4.965 1.00 1.43 N ATOM 431 CA ASN A 46 -17.995 7.849 5.039 1.00 2.30 C ATOM 432 C ASN A 46 -18.939 6.733 4.583 1.00 2.30 C ATOM 433 O ASN A 46 -19.559 6.068 5.389 1.00 2.35 O ATOM 434 CB ASN A 46 -18.145 9.074 4.132 1.00 3.16 C ATOM 435 CG ASN A 46 -18.962 10.147 4.854 1.00 3.84 C ATOM 436 OD1 ASN A 46 -18.527 10.692 5.850 1.00 3.16 O ATOM 437 ND2 ASN A 46 -20.138 10.476 4.391 1.00 5.24 N ATOM 0 H ASN A 46 -15.943 7.913 4.440 1.00 1.43 H new ATOM 0 HA ASN A 46 -18.236 8.148 6.059 1.00 2.30 H new ATOM 0 HB2 ASN A 46 -17.163 9.466 3.868 1.00 3.16 H new ATOM 0 HB3 ASN A 46 -18.637 8.792 3.201 1.00 3.16 H new ATOM 0 HD21 ASN A 46 -20.691 11.190 4.865 1.00 5.24 H new ATOM 0 HD22 ASN A 46 -20.503 10.019 3.555 1.00 5.24 H new ATOM 444 N LYS A 47 -19.020 6.487 3.303 1.00 2.46 N ATOM 445 CA LYS A 47 -19.882 5.374 2.824 1.00 2.89 C ATOM 446 C LYS A 47 -19.005 4.125 2.711 1.00 2.56 C ATOM 447 O LYS A 47 -18.990 3.451 1.700 1.00 3.25 O ATOM 448 CB LYS A 47 -20.485 5.720 1.460 1.00 3.50 C ATOM 449 CG LYS A 47 -21.834 5.011 1.306 1.00 5.09 C ATOM 450 CD LYS A 47 -22.648 5.687 0.200 1.00 5.42 C ATOM 451 CE LYS A 47 -23.938 4.899 -0.035 1.00 6.64 C ATOM 452 NZ LYS A 47 -25.109 5.810 0.102 1.00 6.45 N ATOM 0 H LYS A 47 -18.529 7.006 2.575 1.00 2.46 H new ATOM 0 HA LYS A 47 -20.703 5.203 3.520 1.00 2.89 H new ATOM 0 HB2 LYS A 47 -20.616 6.798 1.371 1.00 3.50 H new ATOM 0 HB3 LYS A 47 -19.808 5.414 0.662 1.00 3.50 H new ATOM 0 HG2 LYS A 47 -21.678 3.959 1.065 1.00 5.09 H new ATOM 0 HG3 LYS A 47 -22.383 5.044 2.247 1.00 5.09 H new ATOM 0 HD2 LYS A 47 -22.882 6.714 0.481 1.00 5.42 H new ATOM 0 HD3 LYS A 47 -22.065 5.734 -0.720 1.00 5.42 H new ATOM 0 HE2 LYS A 47 -23.927 4.451 -1.028 1.00 6.64 H new ATOM 0 HE3 LYS A 47 -24.013 4.082 0.683 1.00 6.64 H new ATOM 0 HZ1 LYS A 47 -25.986 5.274 -0.058 1.00 6.45 H new ATOM 0 HZ2 LYS A 47 -25.122 6.218 1.059 1.00 6.45 H new ATOM 0 HZ3 LYS A 47 -25.038 6.575 -0.599 1.00 6.45 H new ATOM 466 N SER A 48 -18.246 3.837 3.735 1.00 1.79 N ATOM 467 CA SER A 48 -17.329 2.663 3.692 1.00 1.88 C ATOM 468 C SER A 48 -18.071 1.383 4.063 1.00 2.14 C ATOM 469 O SER A 48 -17.541 0.298 3.953 1.00 2.45 O ATOM 470 CB SER A 48 -16.200 2.868 4.703 1.00 1.71 C ATOM 471 OG SER A 48 -14.980 3.084 4.011 1.00 2.21 O ATOM 0 H SER A 48 -18.223 4.369 4.605 1.00 1.79 H new ATOM 0 HA SER A 48 -16.935 2.573 2.680 1.00 1.88 H new ATOM 0 HB2 SER A 48 -16.422 3.720 5.345 1.00 1.71 H new ATOM 0 HB3 SER A 48 -16.114 1.995 5.350 1.00 1.71 H new ATOM 0 HG SER A 48 -14.234 2.751 4.552 1.00 2.21 H new ATOM 477 N ASN A 49 -19.266 1.491 4.567 1.00 2.14 N ATOM 478 CA ASN A 49 -20.000 0.265 4.999 1.00 2.62 C ATOM 479 C ASN A 49 -19.106 -0.553 5.953 1.00 1.95 C ATOM 480 O ASN A 49 -19.341 -1.721 6.190 1.00 2.41 O ATOM 481 CB ASN A 49 -20.349 -0.579 3.772 1.00 3.52 C ATOM 482 CG ASN A 49 -21.764 -0.235 3.303 1.00 4.13 C ATOM 483 OD1 ASN A 49 -22.195 0.896 3.414 1.00 3.75 O ATOM 484 ND2 ASN A 49 -22.510 -1.168 2.780 1.00 5.27 N ATOM 0 H ASN A 49 -19.767 2.369 4.699 1.00 2.14 H new ATOM 0 HA ASN A 49 -20.918 0.549 5.514 1.00 2.62 H new ATOM 0 HB2 ASN A 49 -19.633 -0.390 2.972 1.00 3.52 H new ATOM 0 HB3 ASN A 49 -20.283 -1.639 4.016 1.00 3.52 H new ATOM 0 HD21 ASN A 49 -23.455 -0.948 2.464 1.00 5.27 H new ATOM 0 HD22 ASN A 49 -22.149 -2.117 2.687 1.00 5.27 H new ATOM 491 N MET A 50 -18.081 0.064 6.493 1.00 1.10 N ATOM 492 CA MET A 50 -17.152 -0.639 7.422 1.00 1.15 C ATOM 493 C MET A 50 -16.333 0.411 8.174 1.00 1.25 C ATOM 494 O MET A 50 -15.211 0.170 8.573 1.00 1.80 O ATOM 495 CB MET A 50 -16.194 -1.511 6.612 1.00 1.82 C ATOM 496 CG MET A 50 -16.852 -2.855 6.295 1.00 1.75 C ATOM 497 SD MET A 50 -17.327 -2.897 4.549 1.00 1.10 S ATOM 498 CE MET A 50 -17.971 -4.585 4.536 1.00 1.63 C ATOM 0 H MET A 50 -17.849 1.043 6.323 1.00 1.10 H new ATOM 0 HA MET A 50 -17.719 -1.257 8.118 1.00 1.15 H new ATOM 0 HB2 MET A 50 -15.921 -1.003 5.687 1.00 1.82 H new ATOM 0 HB3 MET A 50 -15.273 -1.671 7.172 1.00 1.82 H new ATOM 0 HG2 MET A 50 -16.163 -3.670 6.515 1.00 1.75 H new ATOM 0 HG3 MET A 50 -17.729 -3.000 6.925 1.00 1.75 H new ATOM 0 HE1 MET A 50 -17.559 -5.125 3.684 1.00 1.63 H new ATOM 0 HE2 MET A 50 -17.685 -5.091 5.458 1.00 1.63 H new ATOM 0 HE3 MET A 50 -19.058 -4.559 4.458 1.00 1.63 H new ATOM 660 N ASN A 62 -10.370 -8.011 5.909 1.00 0.94 N ATOM 661 CA ASN A 62 -9.166 -8.885 5.794 1.00 0.38 C ATOM 662 C ASN A 62 -8.917 -9.224 4.328 1.00 0.45 C ATOM 663 O ASN A 62 -9.284 -10.281 3.855 1.00 1.01 O ATOM 664 CB ASN A 62 -9.375 -10.186 6.568 1.00 1.08 C ATOM 665 CG ASN A 62 -9.798 -9.872 8.004 1.00 1.29 C ATOM 666 OD1 ASN A 62 -9.352 -8.903 8.583 1.00 0.81 O ATOM 667 ND2 ASN A 62 -10.646 -10.659 8.607 1.00 2.45 N ATOM 0 HA ASN A 62 -8.311 -8.350 6.208 1.00 0.38 H new ATOM 0 HB2 ASN A 62 -10.137 -10.792 6.079 1.00 1.08 H new ATOM 0 HB3 ASN A 62 -8.455 -10.771 6.570 1.00 1.08 H new ATOM 0 HD21 ASN A 62 -10.934 -10.460 9.565 1.00 2.45 H new ATOM 0 HD22 ASN A 62 -11.021 -11.473 8.120 1.00 2.45 H new ATOM 674 N LEU A 63 -8.283 -8.344 3.611 1.00 0.61 N ATOM 675 CA LEU A 63 -7.996 -8.625 2.182 1.00 0.64 C ATOM 676 C LEU A 63 -6.952 -9.735 2.107 1.00 0.44 C ATOM 677 O LEU A 63 -6.648 -10.373 3.095 1.00 0.37 O ATOM 678 CB LEU A 63 -7.458 -7.359 1.520 1.00 0.70 C ATOM 679 CG LEU A 63 -8.618 -6.592 0.895 1.00 0.80 C ATOM 680 CD1 LEU A 63 -8.100 -5.290 0.287 1.00 0.80 C ATOM 681 CD2 LEU A 63 -9.257 -7.446 -0.201 1.00 0.66 C ATOM 0 H LEU A 63 -7.951 -7.442 3.953 1.00 0.61 H new ATOM 0 HA LEU A 63 -8.903 -8.938 1.666 1.00 0.64 H new ATOM 0 HB2 LEU A 63 -6.949 -6.737 2.256 1.00 0.70 H new ATOM 0 HB3 LEU A 63 -6.723 -7.617 0.757 1.00 0.70 H new ATOM 0 HG LEU A 63 -9.359 -6.365 1.661 1.00 0.80 H new ATOM 0 HD11 LEU A 63 -8.929 -4.742 -0.160 1.00 0.80 H new ATOM 0 HD12 LEU A 63 -7.641 -4.682 1.066 1.00 0.80 H new ATOM 0 HD13 LEU A 63 -7.359 -5.516 -0.480 1.00 0.80 H new ATOM 0 HD21 LEU A 63 -10.087 -6.900 -0.650 1.00 0.66 H new ATOM 0 HD22 LEU A 63 -8.514 -7.671 -0.966 1.00 0.66 H new ATOM 0 HD23 LEU A 63 -9.626 -8.376 0.231 1.00 0.66 H new ATOM 693 N ASN A 64 -6.394 -9.975 0.955 1.00 0.52 N ATOM 694 CA ASN A 64 -5.370 -11.047 0.857 1.00 0.70 C ATOM 695 C ASN A 64 -4.046 -10.445 0.387 1.00 0.67 C ATOM 696 O ASN A 64 -3.207 -11.122 -0.174 1.00 0.75 O ATOM 697 CB ASN A 64 -5.837 -12.115 -0.136 1.00 0.99 C ATOM 698 CG ASN A 64 -6.907 -12.988 0.524 1.00 2.03 C ATOM 699 OD1 ASN A 64 -7.147 -12.881 1.710 1.00 2.70 O ATOM 700 ND2 ASN A 64 -7.564 -13.855 -0.198 1.00 2.50 N ATOM 0 H ASN A 64 -6.600 -9.481 0.087 1.00 0.52 H new ATOM 0 HA ASN A 64 -5.229 -11.506 1.835 1.00 0.70 H new ATOM 0 HB2 ASN A 64 -6.239 -11.643 -1.033 1.00 0.99 H new ATOM 0 HB3 ASN A 64 -4.993 -12.729 -0.450 1.00 0.99 H new ATOM 0 HD21 ASN A 64 -8.278 -14.442 0.234 1.00 2.50 H new ATOM 0 HD22 ASN A 64 -7.363 -13.946 -1.194 1.00 2.50 H new ATOM 707 N LEU A 65 -3.851 -9.177 0.621 1.00 0.66 N ATOM 708 CA LEU A 65 -2.583 -8.522 0.202 1.00 0.65 C ATOM 709 C LEU A 65 -1.505 -8.806 1.261 1.00 0.91 C ATOM 710 O LEU A 65 -1.832 -9.188 2.367 1.00 1.82 O ATOM 711 CB LEU A 65 -2.823 -7.014 0.075 1.00 0.27 C ATOM 712 CG LEU A 65 -3.166 -6.411 1.436 1.00 0.30 C ATOM 713 CD1 LEU A 65 -2.504 -5.037 1.548 1.00 0.35 C ATOM 714 CD2 LEU A 65 -4.682 -6.257 1.553 1.00 0.43 C ATOM 0 H LEU A 65 -4.520 -8.564 1.087 1.00 0.66 H new ATOM 0 HA LEU A 65 -2.249 -8.911 -0.760 1.00 0.65 H new ATOM 0 HB2 LEU A 65 -1.934 -6.531 -0.330 1.00 0.27 H new ATOM 0 HB3 LEU A 65 -3.635 -6.827 -0.628 1.00 0.27 H new ATOM 0 HG LEU A 65 -2.806 -7.061 2.233 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -2.742 -4.596 2.516 1.00 0.35 H new ATOM 0 HD12 LEU A 65 -1.423 -5.145 1.454 1.00 0.35 H new ATOM 0 HD13 LEU A 65 -2.874 -4.389 0.754 1.00 0.35 H new ATOM 0 HD21 LEU A 65 -4.930 -5.827 2.523 1.00 0.43 H new ATOM 0 HD22 LEU A 65 -5.043 -5.600 0.762 1.00 0.43 H new ATOM 0 HD23 LEU A 65 -5.155 -7.234 1.458 1.00 0.43 H new ATOM 726 N PRO A 66 -0.251 -8.614 0.910 1.00 1.59 N ATOM 727 CA PRO A 66 0.861 -8.853 1.848 1.00 1.80 C ATOM 728 C PRO A 66 0.967 -7.696 2.846 1.00 1.06 C ATOM 729 O PRO A 66 1.108 -6.549 2.471 1.00 2.17 O ATOM 730 CB PRO A 66 2.092 -8.923 0.942 1.00 3.51 C ATOM 731 CG PRO A 66 1.720 -8.177 -0.361 1.00 4.23 C ATOM 732 CD PRO A 66 0.181 -8.148 -0.429 1.00 3.03 C ATOM 0 HA PRO A 66 0.737 -9.756 2.446 1.00 1.80 H new ATOM 0 HB2 PRO A 66 2.954 -8.460 1.422 1.00 3.51 H new ATOM 0 HB3 PRO A 66 2.362 -9.958 0.733 1.00 3.51 H new ATOM 0 HG2 PRO A 66 2.127 -7.166 -0.358 1.00 4.23 H new ATOM 0 HG3 PRO A 66 2.137 -8.685 -1.231 1.00 4.23 H new ATOM 0 HD2 PRO A 66 -0.189 -7.145 -0.640 1.00 3.03 H new ATOM 0 HD3 PRO A 66 -0.195 -8.799 -1.218 1.00 3.03 H new ATOM 740 N LYS A 67 0.889 -7.988 4.118 1.00 0.90 N ATOM 741 CA LYS A 67 0.972 -6.906 5.141 1.00 2.14 C ATOM 742 C LYS A 67 2.177 -7.141 6.053 1.00 1.69 C ATOM 743 O LYS A 67 2.638 -8.253 6.217 1.00 2.18 O ATOM 744 CB LYS A 67 -0.307 -6.909 5.983 1.00 3.63 C ATOM 745 CG LYS A 67 -0.823 -5.479 6.140 1.00 5.33 C ATOM 746 CD LYS A 67 -1.784 -5.408 7.329 1.00 6.89 C ATOM 747 CE LYS A 67 -3.087 -6.126 6.975 1.00 7.52 C ATOM 748 NZ LYS A 67 -4.110 -5.126 6.556 1.00 8.75 N ATOM 0 H LYS A 67 0.771 -8.930 4.492 1.00 0.90 H new ATOM 0 HA LYS A 67 1.084 -5.945 4.639 1.00 2.14 H new ATOM 0 HB2 LYS A 67 -1.066 -7.530 5.507 1.00 3.63 H new ATOM 0 HB3 LYS A 67 -0.108 -7.344 6.963 1.00 3.63 H new ATOM 0 HG2 LYS A 67 0.012 -4.795 6.293 1.00 5.33 H new ATOM 0 HG3 LYS A 67 -1.331 -5.163 5.229 1.00 5.33 H new ATOM 0 HD2 LYS A 67 -1.329 -5.869 8.206 1.00 6.89 H new ATOM 0 HD3 LYS A 67 -1.987 -4.368 7.584 1.00 6.89 H new ATOM 0 HE2 LYS A 67 -2.913 -6.842 6.172 1.00 7.52 H new ATOM 0 HE3 LYS A 67 -3.447 -6.692 7.834 1.00 7.52 H new ATOM 0 HZ1 LYS A 67 -5.015 -5.608 6.381 1.00 8.75 H new ATOM 0 HZ2 LYS A 67 -4.234 -4.420 7.309 1.00 8.75 H new ATOM 0 HZ3 LYS A 67 -3.796 -4.652 5.685 1.00 8.75 H new ATOM 762 N MET A 68 2.686 -6.099 6.656 1.00 1.63 N ATOM 763 CA MET A 68 3.854 -6.258 7.567 1.00 1.07 C ATOM 764 C MET A 68 3.412 -7.023 8.817 1.00 1.03 C ATOM 765 O MET A 68 2.254 -7.352 8.975 1.00 1.15 O ATOM 766 CB MET A 68 4.376 -4.877 7.974 1.00 0.86 C ATOM 767 CG MET A 68 5.585 -4.511 7.110 1.00 0.57 C ATOM 768 SD MET A 68 6.658 -3.373 8.023 1.00 0.97 S ATOM 769 CE MET A 68 6.841 -2.133 6.716 1.00 0.67 C ATOM 0 H MET A 68 2.342 -5.144 6.556 1.00 1.63 H new ATOM 0 HA MET A 68 4.645 -6.808 7.058 1.00 1.07 H new ATOM 0 HB2 MET A 68 3.591 -4.130 7.854 1.00 0.86 H new ATOM 0 HB3 MET A 68 4.656 -4.879 9.027 1.00 0.86 H new ATOM 0 HG2 MET A 68 6.138 -5.411 6.840 1.00 0.57 H new ATOM 0 HG3 MET A 68 5.254 -4.049 6.180 1.00 0.57 H new ATOM 0 HE1 MET A 68 7.388 -1.274 7.104 1.00 0.67 H new ATOM 0 HE2 MET A 68 7.389 -2.565 5.879 1.00 0.67 H new ATOM 0 HE3 MET A 68 5.856 -1.813 6.378 1.00 0.67 H new ATOM 779 N ALA A 69 4.322 -7.308 9.708 1.00 0.92 N ATOM 780 CA ALA A 69 3.940 -8.051 10.943 1.00 0.99 C ATOM 781 C ALA A 69 5.143 -8.136 11.884 1.00 0.88 C ATOM 782 O ALA A 69 6.222 -7.675 11.569 1.00 0.57 O ATOM 783 CB ALA A 69 3.480 -9.462 10.570 1.00 1.19 C ATOM 0 H ALA A 69 5.309 -7.060 9.635 1.00 0.92 H new ATOM 0 HA ALA A 69 3.127 -7.526 11.444 1.00 0.99 H new ATOM 0 HB1 ALA A 69 3.201 -10.004 11.473 1.00 1.19 H new ATOM 0 HB2 ALA A 69 2.620 -9.400 9.904 1.00 1.19 H new ATOM 0 HB3 ALA A 69 4.291 -9.988 10.067 1.00 1.19 H new ATOM 789 N GLU A 70 4.967 -8.723 13.036 1.00 1.30 N ATOM 790 CA GLU A 70 6.101 -8.836 13.998 1.00 1.29 C ATOM 791 C GLU A 70 7.168 -9.782 13.442 1.00 1.38 C ATOM 792 O GLU A 70 8.269 -9.853 13.951 1.00 1.63 O ATOM 793 CB GLU A 70 5.585 -9.380 15.332 1.00 1.36 C ATOM 794 CG GLU A 70 4.988 -10.772 15.121 1.00 2.37 C ATOM 795 CD GLU A 70 3.606 -10.840 15.772 1.00 3.09 C ATOM 796 OE1 GLU A 70 3.499 -10.466 16.928 1.00 2.73 O ATOM 797 OE2 GLU A 70 2.677 -11.263 15.103 1.00 4.23 O ATOM 0 H GLU A 70 4.087 -9.130 13.353 1.00 1.30 H new ATOM 0 HA GLU A 70 6.541 -7.850 14.148 1.00 1.29 H new ATOM 0 HB2 GLU A 70 6.398 -9.428 16.056 1.00 1.36 H new ATOM 0 HB3 GLU A 70 4.831 -8.708 15.743 1.00 1.36 H new ATOM 0 HG2 GLU A 70 4.910 -10.988 14.055 1.00 2.37 H new ATOM 0 HG3 GLU A 70 5.643 -11.529 15.553 1.00 2.37 H new ATOM 804 N LYS A 71 6.858 -10.510 12.406 1.00 1.37 N ATOM 805 CA LYS A 71 7.860 -11.443 11.831 1.00 1.47 C ATOM 806 C LYS A 71 8.850 -10.663 10.963 1.00 1.10 C ATOM 807 O LYS A 71 10.015 -11.000 10.878 1.00 1.02 O ATOM 808 CB LYS A 71 7.139 -12.485 10.980 1.00 1.78 C ATOM 809 CG LYS A 71 6.152 -13.258 11.856 1.00 2.52 C ATOM 810 CD LYS A 71 5.778 -14.573 11.170 1.00 2.69 C ATOM 811 CE LYS A 71 4.571 -14.347 10.261 1.00 3.33 C ATOM 812 NZ LYS A 71 4.392 -15.533 9.376 1.00 3.62 N ATOM 0 H LYS A 71 5.954 -10.498 11.934 1.00 1.37 H new ATOM 0 HA LYS A 71 8.405 -11.939 12.634 1.00 1.47 H new ATOM 0 HB2 LYS A 71 6.611 -11.999 10.159 1.00 1.78 H new ATOM 0 HB3 LYS A 71 7.861 -13.170 10.534 1.00 1.78 H new ATOM 0 HG2 LYS A 71 6.595 -13.458 12.831 1.00 2.52 H new ATOM 0 HG3 LYS A 71 5.258 -12.659 12.029 1.00 2.52 H new ATOM 0 HD2 LYS A 71 6.621 -14.944 10.587 1.00 2.69 H new ATOM 0 HD3 LYS A 71 5.547 -15.333 11.917 1.00 2.69 H new ATOM 0 HE2 LYS A 71 3.675 -14.188 10.860 1.00 3.33 H new ATOM 0 HE3 LYS A 71 4.717 -13.449 9.660 1.00 3.33 H new ATOM 0 HZ1 LYS A 71 3.571 -15.382 8.756 1.00 3.62 H new ATOM 0 HZ2 LYS A 71 5.245 -15.665 8.796 1.00 3.62 H new ATOM 0 HZ3 LYS A 71 4.235 -16.380 9.958 1.00 3.62 H new ATOM 826 N ASP A 72 8.396 -9.623 10.319 1.00 0.93 N ATOM 827 CA ASP A 72 9.312 -8.822 9.458 1.00 0.73 C ATOM 828 C ASP A 72 10.400 -8.189 10.330 1.00 0.84 C ATOM 829 O ASP A 72 11.551 -8.119 9.949 1.00 1.03 O ATOM 830 CB ASP A 72 8.515 -7.718 8.753 1.00 1.11 C ATOM 831 CG ASP A 72 9.003 -7.558 7.309 1.00 1.49 C ATOM 832 OD1 ASP A 72 9.938 -8.247 6.935 1.00 1.46 O ATOM 833 OD2 ASP A 72 8.432 -6.744 6.602 1.00 2.10 O ATOM 0 H ASP A 72 7.431 -9.293 10.352 1.00 0.93 H new ATOM 0 HA ASP A 72 9.772 -9.469 8.712 1.00 0.73 H new ATOM 0 HB2 ASP A 72 7.453 -7.963 8.761 1.00 1.11 H new ATOM 0 HB3 ASP A 72 8.629 -6.776 9.290 1.00 1.11 H new ATOM 838 N GLY A 73 10.042 -7.727 11.496 1.00 1.16 N ATOM 839 CA GLY A 73 11.052 -7.099 12.393 1.00 1.60 C ATOM 840 C GLY A 73 11.272 -5.643 11.978 1.00 1.19 C ATOM 841 O GLY A 73 12.371 -5.129 12.042 1.00 1.33 O ATOM 0 H GLY A 73 9.092 -7.757 11.867 1.00 1.16 H new ATOM 0 HA2 GLY A 73 10.713 -7.145 13.428 1.00 1.60 H new ATOM 0 HA3 GLY A 73 11.992 -7.649 12.340 1.00 1.60 H new ATOM 845 N CYS A 74 10.236 -4.974 11.557 1.00 0.79 N ATOM 846 CA CYS A 74 10.387 -3.551 11.141 1.00 0.37 C ATOM 847 C CYS A 74 9.941 -2.637 12.281 1.00 0.53 C ATOM 848 O CYS A 74 9.391 -1.576 12.060 1.00 0.71 O ATOM 849 CB CYS A 74 9.523 -3.287 9.905 1.00 0.11 C ATOM 850 SG CYS A 74 10.005 -4.418 8.576 1.00 1.32 S ATOM 0 H CYS A 74 9.291 -5.350 11.483 1.00 0.79 H new ATOM 0 HA CYS A 74 11.432 -3.350 10.903 1.00 0.37 H new ATOM 0 HB2 CYS A 74 8.470 -3.424 10.149 1.00 0.11 H new ATOM 0 HB3 CYS A 74 9.643 -2.254 9.579 1.00 0.11 H new ATOM 855 N PHE A 75 10.173 -3.039 13.501 1.00 0.76 N ATOM 856 CA PHE A 75 9.764 -2.190 14.656 1.00 1.08 C ATOM 857 C PHE A 75 10.898 -2.144 15.683 1.00 1.32 C ATOM 858 O PHE A 75 11.849 -2.898 15.608 1.00 0.95 O ATOM 859 CB PHE A 75 8.510 -2.781 15.307 1.00 1.25 C ATOM 860 CG PHE A 75 7.428 -2.936 14.266 1.00 0.87 C ATOM 861 CD1 PHE A 75 7.515 -3.960 13.316 1.00 1.20 C ATOM 862 CD2 PHE A 75 6.339 -2.058 14.252 1.00 2.26 C ATOM 863 CE1 PHE A 75 6.512 -4.104 12.350 1.00 1.65 C ATOM 864 CE2 PHE A 75 5.336 -2.202 13.287 1.00 1.89 C ATOM 865 CZ PHE A 75 5.422 -3.226 12.335 1.00 0.70 C ATOM 0 H PHE A 75 10.628 -3.918 13.748 1.00 0.76 H new ATOM 0 HA PHE A 75 9.550 -1.180 14.306 1.00 1.08 H new ATOM 0 HB2 PHE A 75 8.741 -3.748 15.754 1.00 1.25 H new ATOM 0 HB3 PHE A 75 8.165 -2.132 16.112 1.00 1.25 H new ATOM 0 HD1 PHE A 75 8.355 -4.639 13.328 1.00 1.20 H new ATOM 0 HD2 PHE A 75 6.272 -1.269 14.986 1.00 2.26 H new ATOM 0 HE1 PHE A 75 6.579 -4.893 11.616 1.00 1.65 H new ATOM 0 HE2 PHE A 75 4.496 -1.524 13.276 1.00 1.89 H new ATOM 0 HZ PHE A 75 4.648 -3.338 11.590 1.00 0.70 H new ATOM 875 N GLN A 76 10.805 -1.266 16.643 1.00 1.97 N ATOM 876 CA GLN A 76 11.876 -1.170 17.674 1.00 2.24 C ATOM 877 C GLN A 76 12.089 -2.542 18.321 1.00 2.32 C ATOM 878 O GLN A 76 13.155 -2.845 18.819 1.00 2.51 O ATOM 879 CB GLN A 76 11.459 -0.162 18.746 1.00 2.62 C ATOM 880 CG GLN A 76 12.700 0.353 19.479 1.00 2.74 C ATOM 881 CD GLN A 76 12.299 0.858 20.865 1.00 2.91 C ATOM 882 OE1 GLN A 76 12.341 2.044 21.129 1.00 3.81 O ATOM 883 NE2 GLN A 76 11.909 0.002 21.770 1.00 2.45 N ATOM 0 H GLN A 76 10.032 -0.610 16.758 1.00 1.97 H new ATOM 0 HA GLN A 76 12.804 -0.842 17.205 1.00 2.24 H new ATOM 0 HB2 GLN A 76 10.924 0.670 18.288 1.00 2.62 H new ATOM 0 HB3 GLN A 76 10.775 -0.631 19.454 1.00 2.62 H new ATOM 0 HG2 GLN A 76 13.439 -0.443 19.570 1.00 2.74 H new ATOM 0 HG3 GLN A 76 13.166 1.156 18.908 1.00 2.74 H new ATOM 0 HE21 GLN A 76 11.874 -0.993 21.549 1.00 2.45 H new ATOM 0 HE22 GLN A 76 11.640 0.328 22.698 1.00 2.45 H new ATOM 892 N SER A 77 11.083 -3.373 18.316 1.00 2.21 N ATOM 893 CA SER A 77 11.230 -4.723 18.929 1.00 2.31 C ATOM 894 C SER A 77 11.755 -5.704 17.880 1.00 2.18 C ATOM 895 O SER A 77 11.042 -6.574 17.418 1.00 2.32 O ATOM 896 CB SER A 77 9.872 -5.203 19.441 1.00 2.65 C ATOM 897 OG SER A 77 9.984 -6.552 19.874 1.00 1.60 O ATOM 0 H SER A 77 10.166 -3.176 17.914 1.00 2.21 H new ATOM 0 HA SER A 77 11.932 -4.669 19.761 1.00 2.31 H new ATOM 0 HB2 SER A 77 9.537 -4.571 20.264 1.00 2.65 H new ATOM 0 HB3 SER A 77 9.124 -5.123 18.652 1.00 2.65 H new ATOM 0 HG SER A 77 10.063 -7.140 19.094 1.00 1.60 H new ATOM 903 N GLY A 78 12.996 -5.573 17.499 1.00 2.05 N ATOM 904 CA GLY A 78 13.565 -6.500 16.481 1.00 1.94 C ATOM 905 C GLY A 78 13.673 -5.780 15.136 1.00 1.73 C ATOM 906 O GLY A 78 13.426 -6.352 14.093 1.00 1.71 O ATOM 0 H GLY A 78 13.640 -4.864 17.849 1.00 2.05 H new ATOM 0 HA2 GLY A 78 14.548 -6.847 16.799 1.00 1.94 H new ATOM 0 HA3 GLY A 78 12.932 -7.382 16.383 1.00 1.94 H new ATOM 910 N PHE A 79 14.040 -4.526 15.151 1.00 1.60 N ATOM 911 CA PHE A 79 14.166 -3.764 13.872 1.00 1.39 C ATOM 912 C PHE A 79 15.013 -4.563 12.875 1.00 1.34 C ATOM 913 O PHE A 79 15.889 -5.316 13.251 1.00 1.40 O ATOM 914 CB PHE A 79 14.838 -2.416 14.153 1.00 1.08 C ATOM 915 CG PHE A 79 15.025 -1.659 12.859 1.00 0.74 C ATOM 916 CD1 PHE A 79 13.933 -1.446 12.009 1.00 0.87 C ATOM 917 CD2 PHE A 79 16.290 -1.170 12.510 1.00 0.48 C ATOM 918 CE1 PHE A 79 14.105 -0.744 10.810 1.00 0.64 C ATOM 919 CE2 PHE A 79 16.462 -0.468 11.311 1.00 0.47 C ATOM 920 CZ PHE A 79 15.370 -0.255 10.461 1.00 0.44 C ATOM 0 H PHE A 79 14.258 -3.995 15.994 1.00 1.60 H new ATOM 0 HA PHE A 79 13.176 -3.599 13.447 1.00 1.39 H new ATOM 0 HB2 PHE A 79 14.228 -1.832 14.842 1.00 1.08 H new ATOM 0 HB3 PHE A 79 15.802 -2.573 14.636 1.00 1.08 H new ATOM 0 HD1 PHE A 79 12.958 -1.823 12.278 1.00 0.87 H new ATOM 0 HD2 PHE A 79 17.132 -1.334 13.165 1.00 0.48 H new ATOM 0 HE1 PHE A 79 13.263 -0.580 10.155 1.00 0.64 H new ATOM 0 HE2 PHE A 79 17.437 -0.091 11.042 1.00 0.47 H new ATOM 0 HZ PHE A 79 15.503 0.286 9.536 1.00 0.44 H new ATOM 930 N ASN A 80 14.755 -4.404 11.606 1.00 1.51 N ATOM 931 CA ASN A 80 15.541 -5.154 10.586 1.00 1.51 C ATOM 932 C ASN A 80 16.104 -4.170 9.557 1.00 1.14 C ATOM 933 O ASN A 80 16.113 -2.974 9.767 1.00 1.52 O ATOM 934 CB ASN A 80 14.633 -6.164 9.882 1.00 1.99 C ATOM 935 CG ASN A 80 15.064 -7.585 10.252 1.00 2.06 C ATOM 936 OD1 ASN A 80 14.519 -8.180 11.160 1.00 3.14 O ATOM 937 ND2 ASN A 80 16.028 -8.157 9.582 1.00 1.35 N ATOM 0 H ASN A 80 14.034 -3.787 11.231 1.00 1.51 H new ATOM 0 HA ASN A 80 16.360 -5.682 11.073 1.00 1.51 H new ATOM 0 HB2 ASN A 80 13.595 -6.000 10.173 1.00 1.99 H new ATOM 0 HB3 ASN A 80 14.687 -6.026 8.802 1.00 1.99 H new ATOM 0 HD21 ASN A 80 16.323 -9.104 9.821 1.00 1.35 H new ATOM 0 HD22 ASN A 80 16.486 -7.657 8.820 1.00 1.35 H new ATOM 944 N GLU A 81 16.573 -4.665 8.443 1.00 0.73 N ATOM 945 CA GLU A 81 17.133 -3.758 7.402 1.00 0.58 C ATOM 946 C GLU A 81 16.964 -4.401 6.023 1.00 0.64 C ATOM 947 O GLU A 81 16.346 -3.844 5.138 1.00 0.58 O ATOM 948 CB GLU A 81 18.621 -3.525 7.675 1.00 0.77 C ATOM 949 CG GLU A 81 18.792 -2.824 9.023 1.00 0.79 C ATOM 950 CD GLU A 81 20.257 -2.430 9.211 1.00 0.74 C ATOM 951 OE1 GLU A 81 20.658 -1.428 8.641 1.00 0.51 O ATOM 952 OE2 GLU A 81 20.955 -3.137 9.919 1.00 1.68 O ATOM 0 H GLU A 81 16.592 -5.658 8.210 1.00 0.73 H new ATOM 0 HA GLU A 81 16.605 -2.805 7.428 1.00 0.58 H new ATOM 0 HB2 GLU A 81 19.154 -4.476 7.678 1.00 0.77 H new ATOM 0 HB3 GLU A 81 19.056 -2.919 6.881 1.00 0.77 H new ATOM 0 HG2 GLU A 81 18.158 -1.939 9.067 1.00 0.79 H new ATOM 0 HG3 GLU A 81 18.475 -3.484 9.831 1.00 0.79 H new ATOM 959 N GLU A 82 17.510 -5.571 5.836 1.00 0.99 N ATOM 960 CA GLU A 82 17.382 -6.251 4.516 1.00 1.10 C ATOM 961 C GLU A 82 16.046 -6.998 4.454 1.00 1.02 C ATOM 962 O GLU A 82 15.480 -7.191 3.395 1.00 1.01 O ATOM 963 CB GLU A 82 18.536 -7.246 4.346 1.00 1.33 C ATOM 964 CG GLU A 82 18.367 -8.017 3.033 1.00 1.91 C ATOM 965 CD GLU A 82 18.201 -9.508 3.335 1.00 2.59 C ATOM 966 OE1 GLU A 82 17.082 -9.919 3.592 1.00 3.05 O ATOM 967 OE2 GLU A 82 19.196 -10.212 3.306 1.00 2.91 O ATOM 0 H GLU A 82 18.039 -6.086 6.540 1.00 0.99 H new ATOM 0 HA GLU A 82 17.419 -5.511 3.717 1.00 1.10 H new ATOM 0 HB2 GLU A 82 19.488 -6.716 4.347 1.00 1.33 H new ATOM 0 HB3 GLU A 82 18.556 -7.940 5.186 1.00 1.33 H new ATOM 0 HG2 GLU A 82 17.498 -7.646 2.490 1.00 1.91 H new ATOM 0 HG3 GLU A 82 19.234 -7.859 2.392 1.00 1.91 H new ATOM 974 N THR A 83 15.531 -7.412 5.581 1.00 0.98 N ATOM 975 CA THR A 83 14.234 -8.138 5.581 1.00 0.94 C ATOM 976 C THR A 83 13.106 -7.124 5.440 1.00 0.75 C ATOM 977 O THR A 83 12.109 -7.371 4.790 1.00 0.71 O ATOM 978 CB THR A 83 14.073 -8.902 6.898 1.00 0.99 C ATOM 979 OG1 THR A 83 15.112 -9.865 7.015 1.00 1.26 O ATOM 980 CG2 THR A 83 12.715 -9.608 6.919 1.00 1.09 C ATOM 0 H THR A 83 15.954 -7.278 6.499 1.00 0.98 H new ATOM 0 HA THR A 83 14.205 -8.845 4.752 1.00 0.94 H new ATOM 0 HB THR A 83 14.129 -8.203 7.733 1.00 0.99 H new ATOM 0 HG1 THR A 83 15.011 -10.354 7.858 1.00 1.26 H new ATOM 0 HG21 THR A 83 12.602 -10.151 7.857 1.00 1.09 H new ATOM 0 HG22 THR A 83 11.919 -8.869 6.830 1.00 1.09 H new ATOM 0 HG23 THR A 83 12.656 -10.307 6.085 1.00 1.09 H new ATOM 988 N CYS A 84 13.259 -5.978 6.039 1.00 0.63 N ATOM 989 CA CYS A 84 12.200 -4.945 5.934 1.00 0.48 C ATOM 990 C CYS A 84 12.200 -4.385 4.512 1.00 0.52 C ATOM 991 O CYS A 84 11.197 -4.403 3.827 1.00 0.59 O ATOM 992 CB CYS A 84 12.473 -3.821 6.934 1.00 0.41 C ATOM 993 SG CYS A 84 12.025 -4.379 8.596 1.00 1.44 S ATOM 0 H CYS A 84 14.072 -5.714 6.596 1.00 0.63 H new ATOM 0 HA CYS A 84 11.229 -5.386 6.158 1.00 0.48 H new ATOM 0 HB2 CYS A 84 13.526 -3.539 6.904 1.00 0.41 H new ATOM 0 HB3 CYS A 84 11.898 -2.934 6.668 1.00 0.41 H new ATOM 998 N LEU A 85 13.324 -3.897 4.061 1.00 0.53 N ATOM 999 CA LEU A 85 13.401 -3.342 2.679 1.00 0.65 C ATOM 1000 C LEU A 85 12.838 -4.361 1.686 1.00 0.67 C ATOM 1001 O LEU A 85 12.149 -4.012 0.749 1.00 0.65 O ATOM 1002 CB LEU A 85 14.862 -3.050 2.333 1.00 0.86 C ATOM 1003 CG LEU A 85 14.928 -2.160 1.093 1.00 1.00 C ATOM 1004 CD1 LEU A 85 14.326 -0.791 1.415 1.00 0.96 C ATOM 1005 CD2 LEU A 85 16.389 -1.986 0.672 1.00 1.16 C ATOM 0 H LEU A 85 14.194 -3.859 4.591 1.00 0.53 H new ATOM 0 HA LEU A 85 12.819 -2.422 2.623 1.00 0.65 H new ATOM 0 HB2 LEU A 85 15.354 -2.558 3.172 1.00 0.86 H new ATOM 0 HB3 LEU A 85 15.397 -3.983 2.152 1.00 0.86 H new ATOM 0 HG LEU A 85 14.366 -2.623 0.282 1.00 1.00 H new ATOM 0 HD11 LEU A 85 14.373 -0.156 0.531 1.00 0.96 H new ATOM 0 HD12 LEU A 85 13.286 -0.913 1.719 1.00 0.96 H new ATOM 0 HD13 LEU A 85 14.889 -0.327 2.225 1.00 0.96 H new ATOM 0 HD21 LEU A 85 16.440 -1.351 -0.213 1.00 1.16 H new ATOM 0 HD22 LEU A 85 16.949 -1.522 1.484 1.00 1.16 H new ATOM 0 HD23 LEU A 85 16.821 -2.961 0.444 1.00 1.16 H new ATOM 1017 N VAL A 86 13.116 -5.621 1.887 1.00 0.75 N ATOM 1018 CA VAL A 86 12.581 -6.651 0.954 1.00 0.82 C ATOM 1019 C VAL A 86 11.054 -6.576 0.963 1.00 0.62 C ATOM 1020 O VAL A 86 10.440 -6.431 -0.060 1.00 0.49 O ATOM 1021 CB VAL A 86 13.052 -8.046 1.398 1.00 1.03 C ATOM 1022 CG1 VAL A 86 12.274 -9.138 0.653 1.00 1.12 C ATOM 1023 CG2 VAL A 86 14.538 -8.197 1.078 1.00 1.24 C ATOM 0 H VAL A 86 13.687 -5.979 2.653 1.00 0.75 H new ATOM 0 HA VAL A 86 12.947 -6.468 -0.057 1.00 0.82 H new ATOM 0 HB VAL A 86 12.879 -8.151 2.469 1.00 1.03 H new ATOM 0 HG11 VAL A 86 12.620 -10.119 0.980 1.00 1.12 H new ATOM 0 HG12 VAL A 86 11.210 -9.038 0.869 1.00 1.12 H new ATOM 0 HG13 VAL A 86 12.438 -9.034 -0.420 1.00 1.12 H new ATOM 0 HG21 VAL A 86 14.879 -9.184 1.390 1.00 1.24 H new ATOM 0 HG22 VAL A 86 14.693 -8.082 0.005 1.00 1.24 H new ATOM 0 HG23 VAL A 86 15.104 -7.433 1.610 1.00 1.24 H new ATOM 1033 N LYS A 87 10.435 -6.676 2.104 1.00 0.62 N ATOM 1034 CA LYS A 87 8.946 -6.609 2.138 1.00 0.53 C ATOM 1035 C LYS A 87 8.471 -5.303 1.486 1.00 0.35 C ATOM 1036 O LYS A 87 7.334 -5.188 1.076 1.00 0.34 O ATOM 1037 CB LYS A 87 8.462 -6.666 3.590 1.00 0.61 C ATOM 1038 CG LYS A 87 7.441 -7.796 3.745 1.00 1.25 C ATOM 1039 CD LYS A 87 8.172 -9.121 3.975 1.00 0.58 C ATOM 1040 CE LYS A 87 7.431 -9.935 5.036 1.00 1.02 C ATOM 1041 NZ LYS A 87 6.950 -11.212 4.435 1.00 1.32 N ATOM 0 H LYS A 87 10.889 -6.800 3.009 1.00 0.62 H new ATOM 0 HA LYS A 87 8.535 -7.455 1.587 1.00 0.53 H new ATOM 0 HB2 LYS A 87 9.306 -6.830 4.260 1.00 0.61 H new ATOM 0 HB3 LYS A 87 8.012 -5.714 3.872 1.00 0.61 H new ATOM 0 HG2 LYS A 87 6.776 -7.586 4.582 1.00 1.25 H new ATOM 0 HG3 LYS A 87 6.819 -7.863 2.852 1.00 1.25 H new ATOM 0 HD2 LYS A 87 8.228 -9.684 3.043 1.00 0.58 H new ATOM 0 HD3 LYS A 87 9.196 -8.932 4.296 1.00 0.58 H new ATOM 0 HE2 LYS A 87 8.092 -10.143 5.878 1.00 1.02 H new ATOM 0 HE3 LYS A 87 6.588 -9.364 5.426 1.00 1.02 H new ATOM 0 HZ1 LYS A 87 6.446 -11.767 5.156 1.00 1.32 H new ATOM 0 HZ2 LYS A 87 6.306 -11.003 3.646 1.00 1.32 H new ATOM 0 HZ3 LYS A 87 7.762 -11.758 4.084 1.00 1.32 H new ATOM 1055 N ILE A 88 9.327 -4.317 1.385 1.00 0.42 N ATOM 1056 CA ILE A 88 8.908 -3.027 0.751 1.00 0.53 C ATOM 1057 C ILE A 88 8.864 -3.203 -0.771 1.00 0.60 C ATOM 1058 O ILE A 88 7.992 -2.688 -1.437 1.00 0.63 O ATOM 1059 CB ILE A 88 9.909 -1.924 1.111 1.00 0.78 C ATOM 1060 CG1 ILE A 88 9.906 -1.705 2.626 1.00 0.78 C ATOM 1061 CG2 ILE A 88 9.514 -0.621 0.409 1.00 0.82 C ATOM 1062 CD1 ILE A 88 8.516 -1.257 3.077 1.00 0.74 C ATOM 0 H ILE A 88 10.293 -4.348 1.712 1.00 0.42 H new ATOM 0 HA ILE A 88 7.920 -2.747 1.116 1.00 0.53 H new ATOM 0 HB ILE A 88 10.906 -2.223 0.787 1.00 0.78 H new ATOM 0 HG12 ILE A 88 10.186 -2.626 3.137 1.00 0.78 H new ATOM 0 HG13 ILE A 88 10.647 -0.953 2.896 1.00 0.78 H new ATOM 0 HG21 ILE A 88 10.227 0.162 0.667 1.00 0.82 H new ATOM 0 HG22 ILE A 88 9.517 -0.774 -0.670 1.00 0.82 H new ATOM 0 HG23 ILE A 88 8.516 -0.323 0.730 1.00 0.82 H new ATOM 0 HD11 ILE A 88 8.516 -1.102 4.156 1.00 0.74 H new ATOM 0 HD12 ILE A 88 8.254 -0.325 2.576 1.00 0.74 H new ATOM 0 HD13 ILE A 88 7.786 -2.024 2.821 1.00 0.74 H new ATOM 1074 N ILE A 89 9.784 -3.948 -1.318 1.00 0.65 N ATOM 1075 CA ILE A 89 9.776 -4.189 -2.790 1.00 0.80 C ATOM 1076 C ILE A 89 8.639 -5.178 -3.052 1.00 0.75 C ATOM 1077 O ILE A 89 7.693 -4.917 -3.776 1.00 0.85 O ATOM 1078 CB ILE A 89 11.130 -4.807 -3.197 1.00 0.87 C ATOM 1079 CG1 ILE A 89 12.276 -4.024 -2.541 1.00 0.95 C ATOM 1080 CG2 ILE A 89 11.309 -4.765 -4.720 1.00 0.77 C ATOM 1081 CD1 ILE A 89 12.168 -2.541 -2.901 1.00 1.08 C ATOM 0 H ILE A 89 10.543 -4.402 -0.809 1.00 0.65 H new ATOM 0 HA ILE A 89 9.632 -3.272 -3.361 1.00 0.80 H new ATOM 0 HB ILE A 89 11.146 -5.845 -2.863 1.00 0.87 H new ATOM 0 HG12 ILE A 89 12.239 -4.148 -1.459 1.00 0.95 H new ATOM 0 HG13 ILE A 89 13.235 -4.419 -2.875 1.00 0.95 H new ATOM 0 HG21 ILE A 89 12.270 -5.206 -4.986 1.00 0.77 H new ATOM 0 HG22 ILE A 89 10.507 -5.329 -5.196 1.00 0.77 H new ATOM 0 HG23 ILE A 89 11.277 -3.730 -5.062 1.00 0.77 H new ATOM 0 HD11 ILE A 89 12.985 -1.992 -2.432 1.00 1.08 H new ATOM 0 HD12 ILE A 89 12.227 -2.424 -3.983 1.00 1.08 H new ATOM 0 HD13 ILE A 89 11.215 -2.149 -2.545 1.00 1.08 H new ATOM 1093 N THR A 90 8.735 -6.299 -2.405 1.00 0.64 N ATOM 1094 CA THR A 90 7.700 -7.364 -2.499 1.00 0.78 C ATOM 1095 C THR A 90 6.352 -6.825 -1.999 1.00 0.66 C ATOM 1096 O THR A 90 5.316 -7.417 -2.231 1.00 0.96 O ATOM 1097 CB THR A 90 8.118 -8.531 -1.588 1.00 0.82 C ATOM 1098 OG1 THR A 90 9.487 -8.409 -1.230 1.00 1.63 O ATOM 1099 CG2 THR A 90 7.915 -9.851 -2.311 1.00 1.40 C ATOM 0 H THR A 90 9.516 -6.531 -1.792 1.00 0.64 H new ATOM 0 HA THR A 90 7.606 -7.689 -3.535 1.00 0.78 H new ATOM 0 HB THR A 90 7.503 -8.504 -0.689 1.00 0.82 H new ATOM 0 HG1 THR A 90 9.566 -7.858 -0.423 1.00 1.63 H new ATOM 0 HG21 THR A 90 8.213 -10.672 -1.659 1.00 1.40 H new ATOM 0 HG22 THR A 90 6.864 -9.962 -2.577 1.00 1.40 H new ATOM 0 HG23 THR A 90 8.522 -9.867 -3.216 1.00 1.40 H new ATOM 1107 N GLY A 91 6.359 -5.727 -1.286 1.00 0.30 N ATOM 1108 CA GLY A 91 5.080 -5.182 -0.742 1.00 0.22 C ATOM 1109 C GLY A 91 4.501 -4.105 -1.663 1.00 0.30 C ATOM 1110 O GLY A 91 3.307 -3.873 -1.682 1.00 0.22 O ATOM 0 H GLY A 91 7.193 -5.186 -1.058 1.00 0.30 H new ATOM 0 HA2 GLY A 91 4.358 -5.990 -0.624 1.00 0.22 H new ATOM 0 HA3 GLY A 91 5.253 -4.762 0.249 1.00 0.22 H new ATOM 1114 N LEU A 92 5.325 -3.433 -2.413 1.00 0.44 N ATOM 1115 CA LEU A 92 4.801 -2.361 -3.305 1.00 0.51 C ATOM 1116 C LEU A 92 4.254 -2.968 -4.600 1.00 0.54 C ATOM 1117 O LEU A 92 3.416 -2.385 -5.255 1.00 0.53 O ATOM 1118 CB LEU A 92 5.928 -1.379 -3.636 1.00 0.62 C ATOM 1119 CG LEU A 92 5.673 -0.047 -2.927 1.00 0.97 C ATOM 1120 CD1 LEU A 92 6.980 0.742 -2.835 1.00 0.89 C ATOM 1121 CD2 LEU A 92 4.646 0.763 -3.722 1.00 1.68 C ATOM 0 H LEU A 92 6.334 -3.577 -2.449 1.00 0.44 H new ATOM 0 HA LEU A 92 3.994 -1.837 -2.793 1.00 0.51 H new ATOM 0 HB2 LEU A 92 6.887 -1.791 -3.323 1.00 0.62 H new ATOM 0 HB3 LEU A 92 5.984 -1.224 -4.713 1.00 0.62 H new ATOM 0 HG LEU A 92 5.292 -0.237 -1.924 1.00 0.97 H new ATOM 0 HD11 LEU A 92 6.798 1.691 -2.330 1.00 0.89 H new ATOM 0 HD12 LEU A 92 7.714 0.166 -2.271 1.00 0.89 H new ATOM 0 HD13 LEU A 92 7.361 0.933 -3.838 1.00 0.89 H new ATOM 0 HD21 LEU A 92 4.463 1.712 -3.219 1.00 1.68 H new ATOM 0 HD22 LEU A 92 5.029 0.952 -4.725 1.00 1.68 H new ATOM 0 HD23 LEU A 92 3.714 0.202 -3.789 1.00 1.68 H new ATOM 1133 N LEU A 93 4.718 -4.130 -4.982 1.00 0.60 N ATOM 1134 CA LEU A 93 4.202 -4.754 -6.240 1.00 0.66 C ATOM 1135 C LEU A 93 2.748 -5.192 -6.023 1.00 0.58 C ATOM 1136 O LEU A 93 1.838 -4.782 -6.734 1.00 0.53 O ATOM 1137 CB LEU A 93 5.061 -5.967 -6.592 1.00 0.74 C ATOM 1138 CG LEU A 93 6.524 -5.536 -6.667 1.00 0.79 C ATOM 1139 CD1 LEU A 93 7.415 -6.667 -6.157 1.00 0.96 C ATOM 1140 CD2 LEU A 93 6.890 -5.214 -8.117 1.00 0.80 C ATOM 0 H LEU A 93 5.425 -4.670 -4.484 1.00 0.60 H new ATOM 0 HA LEU A 93 4.246 -4.034 -7.057 1.00 0.66 H new ATOM 0 HB2 LEU A 93 4.936 -6.747 -5.841 1.00 0.74 H new ATOM 0 HB3 LEU A 93 4.744 -6.389 -7.546 1.00 0.74 H new ATOM 0 HG LEU A 93 6.672 -4.649 -6.050 1.00 0.79 H new ATOM 0 HD11 LEU A 93 8.459 -6.360 -6.210 1.00 0.96 H new ATOM 0 HD12 LEU A 93 7.156 -6.896 -5.123 1.00 0.96 H new ATOM 0 HD13 LEU A 93 7.266 -7.554 -6.773 1.00 0.96 H new ATOM 0 HD21 LEU A 93 7.934 -4.907 -8.169 1.00 0.80 H new ATOM 0 HD22 LEU A 93 6.741 -6.099 -8.735 1.00 0.80 H new ATOM 0 HD23 LEU A 93 6.255 -4.406 -8.482 1.00 0.80 H new ATOM 1152 N GLU A 94 2.511 -6.006 -5.029 1.00 0.58 N ATOM 1153 CA GLU A 94 1.116 -6.440 -4.751 1.00 0.51 C ATOM 1154 C GLU A 94 0.294 -5.184 -4.471 1.00 0.43 C ATOM 1155 O GLU A 94 -0.795 -5.007 -4.977 1.00 0.36 O ATOM 1156 CB GLU A 94 1.092 -7.363 -3.530 1.00 0.50 C ATOM 1157 CG GLU A 94 1.404 -8.796 -3.967 1.00 0.66 C ATOM 1158 CD GLU A 94 2.919 -8.997 -4.013 1.00 2.09 C ATOM 1159 OE1 GLU A 94 3.543 -8.444 -4.905 1.00 3.52 O ATOM 1160 OE2 GLU A 94 3.431 -9.700 -3.158 1.00 2.66 O ATOM 0 H GLU A 94 3.220 -6.386 -4.402 1.00 0.58 H new ATOM 0 HA GLU A 94 0.705 -6.987 -5.600 1.00 0.51 H new ATOM 0 HB2 GLU A 94 1.823 -7.029 -2.794 1.00 0.50 H new ATOM 0 HB3 GLU A 94 0.114 -7.323 -3.050 1.00 0.50 H new ATOM 0 HG2 GLU A 94 0.953 -9.505 -3.273 1.00 0.66 H new ATOM 0 HG3 GLU A 94 0.971 -8.991 -4.948 1.00 0.66 H new ATOM 1167 N PHE A 95 0.835 -4.288 -3.692 1.00 0.43 N ATOM 1168 CA PHE A 95 0.114 -3.020 -3.404 1.00 0.36 C ATOM 1169 C PHE A 95 -0.243 -2.356 -4.729 1.00 0.38 C ATOM 1170 O PHE A 95 -1.253 -1.705 -4.859 1.00 0.37 O ATOM 1171 CB PHE A 95 1.037 -2.090 -2.618 1.00 0.37 C ATOM 1172 CG PHE A 95 0.923 -2.381 -1.145 1.00 0.41 C ATOM 1173 CD1 PHE A 95 0.781 -3.699 -0.695 1.00 1.05 C ATOM 1174 CD2 PHE A 95 0.955 -1.328 -0.230 1.00 0.39 C ATOM 1175 CE1 PHE A 95 0.673 -3.961 0.670 1.00 1.14 C ATOM 1176 CE2 PHE A 95 0.848 -1.587 1.136 1.00 0.29 C ATOM 1177 CZ PHE A 95 0.705 -2.906 1.590 1.00 0.55 C ATOM 0 H PHE A 95 1.746 -4.381 -3.243 1.00 0.43 H new ATOM 0 HA PHE A 95 -0.788 -3.222 -2.826 1.00 0.36 H new ATOM 0 HB2 PHE A 95 2.068 -2.224 -2.946 1.00 0.37 H new ATOM 0 HB3 PHE A 95 0.773 -1.051 -2.814 1.00 0.37 H new ATOM 0 HD1 PHE A 95 0.755 -4.512 -1.405 1.00 1.05 H new ATOM 0 HD2 PHE A 95 1.063 -0.312 -0.580 1.00 0.39 H new ATOM 0 HE1 PHE A 95 0.565 -4.978 1.018 1.00 1.14 H new ATOM 0 HE2 PHE A 95 0.875 -0.772 1.844 1.00 0.29 H new ATOM 0 HZ PHE A 95 0.620 -3.108 2.648 1.00 0.55 H new ATOM 1187 N GLU A 96 0.603 -2.527 -5.708 1.00 0.42 N ATOM 1188 CA GLU A 96 0.365 -1.923 -7.048 1.00 0.45 C ATOM 1189 C GLU A 96 -0.957 -2.429 -7.623 1.00 0.38 C ATOM 1190 O GLU A 96 -1.742 -1.664 -8.139 1.00 0.33 O ATOM 1191 CB GLU A 96 1.504 -2.313 -7.980 1.00 0.59 C ATOM 1192 CG GLU A 96 1.982 -1.084 -8.750 1.00 0.21 C ATOM 1193 CD GLU A 96 0.899 -0.648 -9.740 1.00 0.76 C ATOM 1194 OE1 GLU A 96 0.055 -1.467 -10.063 1.00 1.31 O ATOM 1195 OE2 GLU A 96 0.934 0.499 -10.157 1.00 1.10 O ATOM 0 H GLU A 96 1.464 -3.069 -5.633 1.00 0.42 H new ATOM 0 HA GLU A 96 0.318 -0.838 -6.951 1.00 0.45 H new ATOM 0 HB2 GLU A 96 2.328 -2.737 -7.406 1.00 0.59 H new ATOM 0 HB3 GLU A 96 1.170 -3.083 -8.676 1.00 0.59 H new ATOM 0 HG2 GLU A 96 2.205 -0.272 -8.058 1.00 0.21 H new ATOM 0 HG3 GLU A 96 2.906 -1.312 -9.282 1.00 0.21 H new ATOM 1202 N VAL A 97 -1.221 -3.708 -7.548 1.00 0.41 N ATOM 1203 CA VAL A 97 -2.525 -4.200 -8.097 1.00 0.38 C ATOM 1204 C VAL A 97 -3.653 -3.500 -7.317 1.00 0.25 C ATOM 1205 O VAL A 97 -4.610 -3.002 -7.882 1.00 0.20 O ATOM 1206 CB VAL A 97 -2.633 -5.743 -7.981 1.00 0.52 C ATOM 1207 CG1 VAL A 97 -3.209 -6.169 -6.621 1.00 0.90 C ATOM 1208 CG2 VAL A 97 -3.551 -6.259 -9.090 1.00 0.40 C ATOM 0 H VAL A 97 -0.611 -4.418 -7.143 1.00 0.41 H new ATOM 0 HA VAL A 97 -2.601 -3.963 -9.158 1.00 0.38 H new ATOM 0 HB VAL A 97 -1.632 -6.164 -8.075 1.00 0.52 H new ATOM 0 HG11 VAL A 97 -3.270 -7.256 -6.576 1.00 0.90 H new ATOM 0 HG12 VAL A 97 -2.561 -5.809 -5.822 1.00 0.90 H new ATOM 0 HG13 VAL A 97 -4.205 -5.744 -6.499 1.00 0.90 H new ATOM 0 HG21 VAL A 97 -3.634 -7.343 -9.018 1.00 0.40 H new ATOM 0 HG22 VAL A 97 -4.539 -5.811 -8.982 1.00 0.40 H new ATOM 0 HG23 VAL A 97 -3.135 -5.991 -10.061 1.00 0.40 H new ATOM 1218 N TYR A 98 -3.526 -3.448 -6.016 1.00 0.31 N ATOM 1219 CA TYR A 98 -4.565 -2.771 -5.187 1.00 0.19 C ATOM 1220 C TYR A 98 -4.567 -1.273 -5.509 1.00 0.04 C ATOM 1221 O TYR A 98 -5.539 -0.579 -5.277 1.00 0.17 O ATOM 1222 CB TYR A 98 -4.250 -2.983 -3.709 1.00 0.23 C ATOM 1223 CG TYR A 98 -4.322 -4.458 -3.400 1.00 0.33 C ATOM 1224 CD1 TYR A 98 -5.566 -5.086 -3.282 1.00 0.38 C ATOM 1225 CD2 TYR A 98 -3.144 -5.194 -3.236 1.00 0.41 C ATOM 1226 CE1 TYR A 98 -5.632 -6.455 -2.998 1.00 0.47 C ATOM 1227 CE2 TYR A 98 -3.210 -6.563 -2.954 1.00 0.51 C ATOM 1228 CZ TYR A 98 -4.455 -7.193 -2.835 1.00 0.52 C ATOM 1229 OH TYR A 98 -4.520 -8.541 -2.548 1.00 0.62 O ATOM 0 H TYR A 98 -2.746 -3.846 -5.492 1.00 0.31 H new ATOM 0 HA TYR A 98 -5.547 -3.190 -5.408 1.00 0.19 H new ATOM 0 HB2 TYR A 98 -3.257 -2.597 -3.476 1.00 0.23 H new ATOM 0 HB3 TYR A 98 -4.959 -2.433 -3.090 1.00 0.23 H new ATOM 0 HD1 TYR A 98 -6.474 -4.516 -3.410 1.00 0.38 H new ATOM 0 HD2 TYR A 98 -2.185 -4.706 -3.327 1.00 0.41 H new ATOM 0 HE1 TYR A 98 -6.592 -6.941 -2.905 1.00 0.47 H new ATOM 0 HE2 TYR A 98 -2.302 -7.133 -2.828 1.00 0.51 H new ATOM 0 HH TYR A 98 -3.613 -8.902 -2.468 1.00 0.62 H new ATOM 1239 N LEU A 99 -3.502 -0.775 -6.079 1.00 0.15 N ATOM 1240 CA LEU A 99 -3.466 0.663 -6.455 1.00 0.20 C ATOM 1241 C LEU A 99 -4.354 0.802 -7.674 1.00 0.08 C ATOM 1242 O LEU A 99 -5.073 1.763 -7.837 1.00 0.18 O ATOM 1243 CB LEU A 99 -2.039 1.097 -6.804 1.00 0.36 C ATOM 1244 CG LEU A 99 -1.244 1.342 -5.524 1.00 0.43 C ATOM 1245 CD1 LEU A 99 0.170 1.796 -5.881 1.00 0.42 C ATOM 1246 CD2 LEU A 99 -1.934 2.427 -4.704 1.00 0.41 C ATOM 0 H LEU A 99 -2.658 -1.303 -6.299 1.00 0.15 H new ATOM 0 HA LEU A 99 -3.806 1.289 -5.630 1.00 0.20 H new ATOM 0 HB2 LEU A 99 -1.552 0.328 -7.404 1.00 0.36 H new ATOM 0 HB3 LEU A 99 -2.063 2.004 -7.407 1.00 0.36 H new ATOM 0 HG LEU A 99 -1.192 0.421 -4.944 1.00 0.43 H new ATOM 0 HD11 LEU A 99 0.738 1.971 -4.967 1.00 0.42 H new ATOM 0 HD12 LEU A 99 0.662 1.023 -6.471 1.00 0.42 H new ATOM 0 HD13 LEU A 99 0.121 2.718 -6.460 1.00 0.42 H new ATOM 0 HD21 LEU A 99 -1.370 2.605 -3.789 1.00 0.41 H new ATOM 0 HD22 LEU A 99 -1.982 3.347 -5.286 1.00 0.41 H new ATOM 0 HD23 LEU A 99 -2.944 2.105 -4.451 1.00 0.41 H new ATOM 1258 N GLU A 100 -4.344 -0.207 -8.505 1.00 0.04 N ATOM 1259 CA GLU A 100 -5.220 -0.210 -9.694 1.00 0.18 C ATOM 1260 C GLU A 100 -6.645 -0.116 -9.175 1.00 0.25 C ATOM 1261 O GLU A 100 -7.511 0.498 -9.766 1.00 0.33 O ATOM 1262 CB GLU A 100 -5.025 -1.533 -10.436 1.00 0.28 C ATOM 1263 CG GLU A 100 -4.894 -1.280 -11.937 1.00 0.28 C ATOM 1264 CD GLU A 100 -6.124 -0.524 -12.446 1.00 0.72 C ATOM 1265 OE1 GLU A 100 -7.145 -1.160 -12.650 1.00 1.29 O ATOM 1266 OE2 GLU A 100 -6.023 0.680 -12.621 1.00 1.10 O ATOM 0 H GLU A 100 -3.757 -1.034 -8.402 1.00 0.04 H new ATOM 0 HA GLU A 100 -4.997 0.613 -10.373 1.00 0.18 H new ATOM 0 HB2 GLU A 100 -4.133 -2.038 -10.066 1.00 0.28 H new ATOM 0 HB3 GLU A 100 -5.870 -2.195 -10.243 1.00 0.28 H new ATOM 0 HG2 GLU A 100 -3.992 -0.703 -12.140 1.00 0.28 H new ATOM 0 HG3 GLU A 100 -4.793 -2.227 -12.467 1.00 0.28 H new ATOM 1273 N TYR A 101 -6.870 -0.717 -8.038 1.00 0.23 N ATOM 1274 CA TYR A 101 -8.207 -0.672 -7.414 1.00 0.31 C ATOM 1275 C TYR A 101 -8.579 0.775 -7.138 1.00 0.37 C ATOM 1276 O TYR A 101 -9.651 1.236 -7.476 1.00 0.47 O ATOM 1277 CB TYR A 101 -8.168 -1.440 -6.094 1.00 0.25 C ATOM 1278 CG TYR A 101 -9.399 -2.296 -5.982 1.00 0.35 C ATOM 1279 CD1 TYR A 101 -9.573 -3.378 -6.849 1.00 0.31 C ATOM 1280 CD2 TYR A 101 -10.367 -2.009 -5.014 1.00 0.58 C ATOM 1281 CE1 TYR A 101 -10.717 -4.176 -6.752 1.00 0.39 C ATOM 1282 CE2 TYR A 101 -11.512 -2.806 -4.915 1.00 0.69 C ATOM 1283 CZ TYR A 101 -11.687 -3.891 -5.783 1.00 0.56 C ATOM 1284 OH TYR A 101 -12.815 -4.677 -5.684 1.00 0.66 O ATOM 0 H TYR A 101 -6.170 -1.242 -7.514 1.00 0.23 H new ATOM 0 HA TYR A 101 -8.942 -1.121 -8.081 1.00 0.31 H new ATOM 0 HB2 TYR A 101 -7.273 -2.061 -6.047 1.00 0.25 H new ATOM 0 HB3 TYR A 101 -8.117 -0.744 -5.256 1.00 0.25 H new ATOM 0 HD1 TYR A 101 -8.823 -3.598 -7.595 1.00 0.31 H new ATOM 0 HD2 TYR A 101 -10.230 -1.173 -4.344 1.00 0.58 H new ATOM 0 HE1 TYR A 101 -10.852 -5.011 -7.423 1.00 0.39 H new ATOM 0 HE2 TYR A 101 -12.261 -2.585 -4.169 1.00 0.69 H new ATOM 0 HH TYR A 101 -13.384 -4.343 -4.960 1.00 0.66 H new ATOM 1294 N LEU A 102 -7.703 1.486 -6.500 1.00 0.33 N ATOM 1295 CA LEU A 102 -7.991 2.902 -6.163 1.00 0.42 C ATOM 1296 C LEU A 102 -7.482 3.828 -7.270 1.00 0.44 C ATOM 1297 O LEU A 102 -7.468 5.030 -7.111 1.00 0.50 O ATOM 1298 CB LEU A 102 -7.295 3.262 -4.848 1.00 0.43 C ATOM 1299 CG LEU A 102 -7.406 2.101 -3.853 1.00 0.44 C ATOM 1300 CD1 LEU A 102 -6.038 1.835 -3.233 1.00 0.43 C ATOM 1301 CD2 LEU A 102 -8.407 2.469 -2.763 1.00 0.58 C ATOM 0 H LEU A 102 -6.791 1.146 -6.194 1.00 0.33 H new ATOM 0 HA LEU A 102 -9.069 3.027 -6.063 1.00 0.42 H new ATOM 0 HB2 LEU A 102 -6.246 3.491 -5.035 1.00 0.43 H new ATOM 0 HB3 LEU A 102 -7.746 4.159 -4.423 1.00 0.43 H new ATOM 0 HG LEU A 102 -7.747 1.203 -4.368 1.00 0.44 H new ATOM 0 HD11 LEU A 102 -6.114 1.010 -2.525 1.00 0.43 H new ATOM 0 HD12 LEU A 102 -5.327 1.576 -4.018 1.00 0.43 H new ATOM 0 HD13 LEU A 102 -5.694 2.729 -2.713 1.00 0.43 H new ATOM 0 HD21 LEU A 102 -8.490 1.647 -2.052 1.00 0.58 H new ATOM 0 HD22 LEU A 102 -8.066 3.365 -2.243 1.00 0.58 H new ATOM 0 HD23 LEU A 102 -9.381 2.659 -3.213 1.00 0.58 H new ATOM 1313 N GLN A 103 -7.057 3.294 -8.384 1.00 0.41 N ATOM 1314 CA GLN A 103 -6.549 4.182 -9.467 1.00 0.45 C ATOM 1315 C GLN A 103 -7.644 4.400 -10.511 1.00 0.33 C ATOM 1316 O GLN A 103 -7.373 4.539 -11.688 1.00 0.71 O ATOM 1317 CB GLN A 103 -5.327 3.548 -10.135 1.00 0.65 C ATOM 1318 CG GLN A 103 -4.629 4.592 -11.009 1.00 0.81 C ATOM 1319 CD GLN A 103 -4.785 4.212 -12.482 1.00 0.86 C ATOM 1320 OE1 GLN A 103 -4.598 2.973 -12.849 1.00 2.22 O flip ATOM 1321 NE2 GLN A 103 -5.079 5.052 -13.309 1.00 0.68 N flip ATOM 0 H GLN A 103 -7.040 2.295 -8.589 1.00 0.41 H new ATOM 0 HA GLN A 103 -6.263 5.140 -9.033 1.00 0.45 H new ATOM 0 HB2 GLN A 103 -4.639 3.172 -9.378 1.00 0.65 H new ATOM 0 HB3 GLN A 103 -5.631 2.695 -10.741 1.00 0.65 H new ATOM 0 HG2 GLN A 103 -5.058 5.578 -10.829 1.00 0.81 H new ATOM 0 HG3 GLN A 103 -3.572 4.652 -10.748 1.00 0.81 H new ATOM 0 HE21 GLN A 103 -5.225 6.020 -13.023 1.00 0.68 H new ATOM 0 HE22 GLN A 103 -5.180 4.789 -14.289 1.00 0.68 H new ATOM 1330 N ASN A 104 -8.879 4.431 -10.095 1.00 0.99 N ATOM 1331 CA ASN A 104 -9.989 4.641 -11.067 1.00 0.88 C ATOM 1332 C ASN A 104 -11.327 4.506 -10.340 1.00 0.76 C ATOM 1333 O ASN A 104 -12.287 5.182 -10.651 1.00 0.78 O ATOM 1334 CB ASN A 104 -9.904 3.589 -12.177 1.00 0.90 C ATOM 1335 CG ASN A 104 -10.058 4.269 -13.538 1.00 0.99 C ATOM 1336 OD1 ASN A 104 -10.422 5.425 -13.615 1.00 1.62 O ATOM 1337 ND2 ASN A 104 -9.794 3.596 -14.625 1.00 0.83 N ATOM 0 H ASN A 104 -9.168 4.320 -9.123 1.00 0.99 H new ATOM 0 HA ASN A 104 -9.908 5.636 -11.505 1.00 0.88 H new ATOM 0 HB2 ASN A 104 -8.948 3.067 -12.125 1.00 0.90 H new ATOM 0 HB3 ASN A 104 -10.684 2.840 -12.043 1.00 0.90 H new ATOM 0 HD21 ASN A 104 -9.894 4.041 -15.537 1.00 0.83 H new ATOM 0 HD22 ASN A 104 -9.488 2.625 -14.562 1.00 0.83 H new ATOM 1344 N ARG A 105 -11.394 3.636 -9.370 1.00 0.61 N ATOM 1345 CA ARG A 105 -12.665 3.451 -8.620 1.00 0.49 C ATOM 1346 C ARG A 105 -13.084 4.778 -7.984 1.00 0.53 C ATOM 1347 O ARG A 105 -14.244 4.996 -7.692 1.00 0.53 O ATOM 1348 CB ARG A 105 -12.459 2.404 -7.525 1.00 0.34 C ATOM 1349 CG ARG A 105 -13.793 2.119 -6.839 1.00 1.25 C ATOM 1350 CD ARG A 105 -14.755 1.480 -7.841 1.00 1.15 C ATOM 1351 NE ARG A 105 -15.260 0.191 -7.291 1.00 0.68 N ATOM 1352 CZ ARG A 105 -16.541 -0.055 -7.283 1.00 1.27 C ATOM 1353 NH1 ARG A 105 -17.111 -0.589 -8.329 1.00 2.43 N ATOM 1354 NH2 ARG A 105 -17.254 0.229 -6.227 1.00 1.57 N ATOM 0 H ARG A 105 -10.621 3.045 -9.065 1.00 0.61 H new ATOM 0 HA ARG A 105 -13.445 3.116 -9.304 1.00 0.49 H new ATOM 0 HB2 ARG A 105 -12.055 1.487 -7.954 1.00 0.34 H new ATOM 0 HB3 ARG A 105 -11.732 2.762 -6.796 1.00 0.34 H new ATOM 0 HG2 ARG A 105 -13.642 1.454 -5.989 1.00 1.25 H new ATOM 0 HG3 ARG A 105 -14.218 3.044 -6.449 1.00 1.25 H new ATOM 0 HD2 ARG A 105 -15.588 2.153 -8.042 1.00 1.15 H new ATOM 0 HD3 ARG A 105 -14.248 1.309 -8.790 1.00 1.15 H new ATOM 0 HE ARG A 105 -14.605 -0.498 -6.921 1.00 0.68 H new ATOM 0 HH11 ARG A 105 -16.555 -0.814 -9.154 1.00 2.43 H new ATOM 0 HH12 ARG A 105 -18.113 -0.781 -8.322 1.00 2.43 H new ATOM 0 HH21 ARG A 105 -16.809 0.643 -5.408 1.00 1.57 H new ATOM 0 HH22 ARG A 105 -18.256 0.037 -6.221 1.00 1.57 H new ATOM 1368 N PHE A 106 -12.156 5.668 -7.763 1.00 0.60 N ATOM 1369 CA PHE A 106 -12.518 6.975 -7.144 1.00 0.69 C ATOM 1370 C PHE A 106 -12.878 7.977 -8.245 1.00 0.80 C ATOM 1371 O PHE A 106 -12.145 8.906 -8.519 1.00 1.21 O ATOM 1372 CB PHE A 106 -11.336 7.504 -6.329 1.00 0.82 C ATOM 1373 CG PHE A 106 -11.128 6.630 -5.114 1.00 0.63 C ATOM 1374 CD1 PHE A 106 -10.637 5.326 -5.263 1.00 2.21 C ATOM 1375 CD2 PHE A 106 -11.425 7.122 -3.836 1.00 1.41 C ATOM 1376 CE1 PHE A 106 -10.443 4.517 -4.137 1.00 2.86 C ATOM 1377 CE2 PHE A 106 -11.229 6.313 -2.712 1.00 0.98 C ATOM 1378 CZ PHE A 106 -10.739 5.011 -2.861 1.00 1.63 C ATOM 0 H PHE A 106 -11.167 5.548 -7.983 1.00 0.60 H new ATOM 0 HA PHE A 106 -13.375 6.840 -6.484 1.00 0.69 H new ATOM 0 HB2 PHE A 106 -10.434 7.514 -6.941 1.00 0.82 H new ATOM 0 HB3 PHE A 106 -11.524 8.533 -6.022 1.00 0.82 H new ATOM 0 HD1 PHE A 106 -10.408 4.945 -6.247 1.00 2.21 H new ATOM 0 HD2 PHE A 106 -11.805 8.126 -3.719 1.00 1.41 H new ATOM 0 HE1 PHE A 106 -10.065 3.512 -4.253 1.00 2.86 H new ATOM 0 HE2 PHE A 106 -11.456 6.694 -1.727 1.00 0.98 H new ATOM 0 HZ PHE A 106 -10.589 4.387 -1.992 1.00 1.63 H new ATOM 1388 N GLU A 107 -14.005 7.789 -8.881 1.00 0.44 N ATOM 1389 CA GLU A 107 -14.420 8.724 -9.968 1.00 0.54 C ATOM 1390 C GLU A 107 -14.742 10.105 -9.384 1.00 0.60 C ATOM 1391 O GLU A 107 -14.859 11.078 -10.102 1.00 0.66 O ATOM 1392 CB GLU A 107 -15.663 8.170 -10.667 1.00 0.52 C ATOM 1393 CG GLU A 107 -16.720 7.805 -9.622 1.00 1.10 C ATOM 1394 CD GLU A 107 -17.932 8.726 -9.777 1.00 2.03 C ATOM 1395 OE1 GLU A 107 -18.466 8.790 -10.872 1.00 2.04 O ATOM 1396 OE2 GLU A 107 -18.304 9.352 -8.798 1.00 3.09 O ATOM 0 H GLU A 107 -14.657 7.027 -8.694 1.00 0.44 H new ATOM 0 HA GLU A 107 -13.603 8.821 -10.683 1.00 0.54 H new ATOM 0 HB2 GLU A 107 -16.063 8.910 -11.360 1.00 0.52 H new ATOM 0 HB3 GLU A 107 -15.400 7.291 -11.256 1.00 0.52 H new ATOM 0 HG2 GLU A 107 -17.023 6.765 -9.744 1.00 1.10 H new ATOM 0 HG3 GLU A 107 -16.303 7.901 -8.619 1.00 1.10 H new ATOM 1403 N SER A 108 -14.884 10.203 -8.089 1.00 0.61 N ATOM 1404 CA SER A 108 -15.190 11.525 -7.472 1.00 0.68 C ATOM 1405 C SER A 108 -13.873 12.221 -7.148 1.00 0.62 C ATOM 1406 O SER A 108 -13.692 13.396 -7.399 1.00 0.65 O ATOM 1407 CB SER A 108 -15.993 11.319 -6.186 1.00 0.74 C ATOM 1408 OG SER A 108 -15.123 10.861 -5.161 1.00 2.54 O ATOM 0 H SER A 108 -14.801 9.426 -7.433 1.00 0.61 H new ATOM 0 HA SER A 108 -15.776 12.134 -8.160 1.00 0.68 H new ATOM 0 HB2 SER A 108 -16.468 12.253 -5.886 1.00 0.74 H new ATOM 0 HB3 SER A 108 -16.791 10.595 -6.353 1.00 0.74 H new ATOM 0 HG SER A 108 -15.632 10.729 -4.334 1.00 2.54 H new ATOM 1414 N SER A 109 -12.945 11.486 -6.609 1.00 0.56 N ATOM 1415 CA SER A 109 -11.619 12.068 -6.277 1.00 0.52 C ATOM 1416 C SER A 109 -10.576 11.397 -7.167 1.00 0.44 C ATOM 1417 O SER A 109 -9.489 11.079 -6.737 1.00 0.41 O ATOM 1418 CB SER A 109 -11.296 11.791 -4.810 1.00 0.55 C ATOM 1419 OG SER A 109 -10.376 12.766 -4.339 1.00 0.64 O ATOM 0 H SER A 109 -13.050 10.497 -6.382 1.00 0.56 H new ATOM 0 HA SER A 109 -11.621 13.146 -6.441 1.00 0.52 H new ATOM 0 HB2 SER A 109 -12.208 11.817 -4.214 1.00 0.55 H new ATOM 0 HB3 SER A 109 -10.873 10.792 -4.701 1.00 0.55 H new ATOM 0 HG SER A 109 -10.520 12.915 -3.381 1.00 0.64 H new ATOM 1425 N GLU A 110 -10.921 11.160 -8.405 1.00 0.44 N ATOM 1426 CA GLU A 110 -9.987 10.486 -9.347 1.00 0.39 C ATOM 1427 C GLU A 110 -8.577 11.083 -9.245 1.00 0.35 C ATOM 1428 O GLU A 110 -7.590 10.379 -9.331 1.00 0.31 O ATOM 1429 CB GLU A 110 -10.513 10.662 -10.772 1.00 0.48 C ATOM 1430 CG GLU A 110 -9.575 9.962 -11.753 1.00 0.74 C ATOM 1431 CD GLU A 110 -10.160 10.038 -13.164 1.00 0.89 C ATOM 1432 OE1 GLU A 110 -10.801 11.031 -13.466 1.00 1.34 O ATOM 1433 OE2 GLU A 110 -9.958 9.102 -13.920 1.00 0.63 O ATOM 0 H GLU A 110 -11.825 11.410 -8.807 1.00 0.44 H new ATOM 0 HA GLU A 110 -9.929 9.428 -9.090 1.00 0.39 H new ATOM 0 HB2 GLU A 110 -11.517 10.247 -10.854 1.00 0.48 H new ATOM 0 HB3 GLU A 110 -10.586 11.722 -11.016 1.00 0.48 H new ATOM 0 HG2 GLU A 110 -8.592 10.432 -11.730 1.00 0.74 H new ATOM 0 HG3 GLU A 110 -9.438 8.921 -11.461 1.00 0.74 H new ATOM 1440 N GLU A 111 -8.470 12.373 -9.077 1.00 0.51 N ATOM 1441 CA GLU A 111 -7.119 13.003 -8.989 1.00 0.47 C ATOM 1442 C GLU A 111 -6.379 12.502 -7.741 1.00 0.42 C ATOM 1443 O GLU A 111 -5.234 12.101 -7.811 1.00 0.30 O ATOM 1444 CB GLU A 111 -7.272 14.524 -8.914 1.00 0.55 C ATOM 1445 CG GLU A 111 -6.104 15.195 -9.645 1.00 1.19 C ATOM 1446 CD GLU A 111 -6.484 16.629 -10.028 1.00 1.23 C ATOM 1447 OE1 GLU A 111 -7.599 17.030 -9.730 1.00 0.93 O ATOM 1448 OE2 GLU A 111 -5.653 17.304 -10.613 1.00 1.86 O ATOM 0 H GLU A 111 -9.256 13.018 -8.997 1.00 0.51 H new ATOM 0 HA GLU A 111 -6.543 12.732 -9.874 1.00 0.47 H new ATOM 0 HB2 GLU A 111 -8.218 14.827 -9.363 1.00 0.55 H new ATOM 0 HB3 GLU A 111 -7.296 14.846 -7.873 1.00 0.55 H new ATOM 0 HG2 GLU A 111 -5.220 15.202 -9.007 1.00 1.19 H new ATOM 0 HG3 GLU A 111 -5.848 14.626 -10.539 1.00 1.19 H new ATOM 1455 N GLN A 112 -7.015 12.527 -6.601 1.00 0.52 N ATOM 1456 CA GLN A 112 -6.333 12.057 -5.360 1.00 0.49 C ATOM 1457 C GLN A 112 -5.905 10.598 -5.531 1.00 0.38 C ATOM 1458 O GLN A 112 -4.841 10.198 -5.103 1.00 0.34 O ATOM 1459 CB GLN A 112 -7.294 12.177 -4.175 1.00 0.57 C ATOM 1460 CG GLN A 112 -7.753 13.630 -4.035 1.00 0.54 C ATOM 1461 CD GLN A 112 -6.642 14.461 -3.392 1.00 1.04 C ATOM 1462 OE1 GLN A 112 -5.475 14.230 -3.637 1.00 2.10 O ATOM 1463 NE2 GLN A 112 -6.957 15.426 -2.572 1.00 0.99 N ATOM 0 H GLN A 112 -7.974 12.851 -6.475 1.00 0.52 H new ATOM 0 HA GLN A 112 -5.451 12.670 -5.175 1.00 0.49 H new ATOM 0 HB2 GLN A 112 -8.155 11.525 -4.324 1.00 0.57 H new ATOM 0 HB3 GLN A 112 -6.801 11.850 -3.259 1.00 0.57 H new ATOM 0 HG2 GLN A 112 -8.005 14.038 -5.014 1.00 0.54 H new ATOM 0 HG3 GLN A 112 -8.656 13.679 -3.427 1.00 0.54 H new ATOM 0 HE21 GLN A 112 -7.937 15.621 -2.366 1.00 0.99 H new ATOM 0 HE22 GLN A 112 -6.223 15.986 -2.137 1.00 0.99 H new ATOM 1472 N ALA A 113 -6.722 9.805 -6.164 1.00 0.36 N ATOM 1473 CA ALA A 113 -6.366 8.374 -6.378 1.00 0.26 C ATOM 1474 C ALA A 113 -5.090 8.302 -7.218 1.00 0.24 C ATOM 1475 O ALA A 113 -4.214 7.496 -6.977 1.00 0.21 O ATOM 1476 CB ALA A 113 -7.506 7.682 -7.125 1.00 0.31 C ATOM 0 H ALA A 113 -7.625 10.087 -6.544 1.00 0.36 H new ATOM 0 HA ALA A 113 -6.205 7.880 -5.420 1.00 0.26 H new ATOM 0 HB1 ALA A 113 -7.253 6.634 -7.285 1.00 0.31 H new ATOM 0 HB2 ALA A 113 -8.420 7.748 -6.535 1.00 0.31 H new ATOM 0 HB3 ALA A 113 -7.659 8.170 -8.088 1.00 0.31 H new ATOM 1482 N ARG A 114 -4.980 9.150 -8.204 1.00 0.26 N ATOM 1483 CA ARG A 114 -3.765 9.147 -9.066 1.00 0.25 C ATOM 1484 C ARG A 114 -2.593 9.775 -8.307 1.00 0.27 C ATOM 1485 O ARG A 114 -1.445 9.597 -8.664 1.00 0.37 O ATOM 1486 CB ARG A 114 -4.040 9.966 -10.329 1.00 0.24 C ATOM 1487 CG ARG A 114 -3.528 9.208 -11.554 1.00 0.11 C ATOM 1488 CD ARG A 114 -4.219 9.745 -12.808 1.00 0.20 C ATOM 1489 NE ARG A 114 -3.616 9.110 -14.013 1.00 0.44 N ATOM 1490 CZ ARG A 114 -3.966 9.506 -15.207 1.00 0.63 C ATOM 1491 NH1 ARG A 114 -5.193 9.889 -15.434 1.00 1.18 N ATOM 1492 NH2 ARG A 114 -3.091 9.516 -16.174 1.00 0.84 N ATOM 0 H ARG A 114 -5.683 9.847 -8.450 1.00 0.26 H new ATOM 0 HA ARG A 114 -3.516 8.121 -9.336 1.00 0.25 H new ATOM 0 HB2 ARG A 114 -5.109 10.155 -10.426 1.00 0.24 H new ATOM 0 HB3 ARG A 114 -3.550 10.937 -10.259 1.00 0.24 H new ATOM 0 HG2 ARG A 114 -2.448 9.324 -11.642 1.00 0.11 H new ATOM 0 HG3 ARG A 114 -3.726 8.142 -11.445 1.00 0.11 H new ATOM 0 HD2 ARG A 114 -5.287 9.533 -12.767 1.00 0.20 H new ATOM 0 HD3 ARG A 114 -4.111 10.828 -12.861 1.00 0.20 H new ATOM 0 HE ARG A 114 -2.928 8.364 -13.905 1.00 0.44 H new ATOM 0 HH11 ARG A 114 -5.878 9.879 -14.679 1.00 1.18 H new ATOM 0 HH12 ARG A 114 -5.466 10.198 -16.367 1.00 1.18 H new ATOM 0 HH21 ARG A 114 -2.133 9.214 -15.998 1.00 0.84 H new ATOM 0 HH22 ARG A 114 -3.365 9.825 -17.107 1.00 0.84 H new ATOM 1506 N ALA A 115 -2.870 10.515 -7.267 1.00 0.25 N ATOM 1507 CA ALA A 115 -1.770 11.157 -6.497 1.00 0.25 C ATOM 1508 C ALA A 115 -1.139 10.138 -5.545 1.00 0.27 C ATOM 1509 O ALA A 115 0.027 10.227 -5.216 1.00 0.33 O ATOM 1510 CB ALA A 115 -2.331 12.329 -5.689 1.00 0.26 C ATOM 0 H ALA A 115 -3.810 10.702 -6.919 1.00 0.25 H new ATOM 0 HA ALA A 115 -1.011 11.520 -7.190 1.00 0.25 H new ATOM 0 HB1 ALA A 115 -1.526 12.800 -5.125 1.00 0.26 H new ATOM 0 HB2 ALA A 115 -2.775 13.059 -6.366 1.00 0.26 H new ATOM 0 HB3 ALA A 115 -3.092 11.964 -5.000 1.00 0.26 H new ATOM 1516 N VAL A 116 -1.893 9.170 -5.098 1.00 0.22 N ATOM 1517 CA VAL A 116 -1.316 8.160 -4.167 1.00 0.24 C ATOM 1518 C VAL A 116 -0.620 7.058 -4.974 1.00 0.24 C ATOM 1519 O VAL A 116 0.400 6.542 -4.579 1.00 0.26 O ATOM 1520 CB VAL A 116 -2.428 7.559 -3.292 1.00 0.27 C ATOM 1521 CG1 VAL A 116 -3.326 6.630 -4.119 1.00 0.26 C ATOM 1522 CG2 VAL A 116 -1.790 6.763 -2.151 1.00 0.64 C ATOM 0 H VAL A 116 -2.876 9.036 -5.335 1.00 0.22 H new ATOM 0 HA VAL A 116 -0.584 8.641 -3.518 1.00 0.24 H new ATOM 0 HB VAL A 116 -3.039 8.368 -2.892 1.00 0.27 H new ATOM 0 HG11 VAL A 116 -4.106 6.215 -3.481 1.00 0.26 H new ATOM 0 HG12 VAL A 116 -3.784 7.195 -4.931 1.00 0.26 H new ATOM 0 HG13 VAL A 116 -2.727 5.819 -4.533 1.00 0.26 H new ATOM 0 HG21 VAL A 116 -2.572 6.333 -1.525 1.00 0.64 H new ATOM 0 HG22 VAL A 116 -1.176 5.963 -2.564 1.00 0.64 H new ATOM 0 HG23 VAL A 116 -1.167 7.425 -1.549 1.00 0.64 H new ATOM 1532 N GLN A 117 -1.177 6.689 -6.098 1.00 0.21 N ATOM 1533 CA GLN A 117 -0.566 5.622 -6.933 1.00 0.20 C ATOM 1534 C GLN A 117 0.675 6.163 -7.647 1.00 0.18 C ATOM 1535 O GLN A 117 1.701 5.519 -7.699 1.00 0.20 O ATOM 1536 CB GLN A 117 -1.591 5.170 -7.974 1.00 0.19 C ATOM 1537 CG GLN A 117 -1.084 3.912 -8.671 1.00 0.39 C ATOM 1538 CD GLN A 117 -0.437 4.291 -10.003 1.00 0.91 C ATOM 1539 OE1 GLN A 117 -0.339 5.456 -10.335 1.00 1.60 O ATOM 1540 NE2 GLN A 117 0.012 3.349 -10.787 1.00 1.18 N ATOM 0 H GLN A 117 -2.038 7.088 -6.474 1.00 0.21 H new ATOM 0 HA GLN A 117 -0.274 4.784 -6.300 1.00 0.20 H new ATOM 0 HB2 GLN A 117 -2.550 4.972 -7.495 1.00 0.19 H new ATOM 0 HB3 GLN A 117 -1.757 5.962 -8.704 1.00 0.19 H new ATOM 0 HG2 GLN A 117 -0.361 3.399 -8.037 1.00 0.39 H new ATOM 0 HG3 GLN A 117 -1.909 3.220 -8.839 1.00 0.39 H new ATOM 0 HE21 GLN A 117 -0.070 2.371 -10.508 1.00 1.18 H new ATOM 0 HE22 GLN A 117 0.445 3.591 -11.678 1.00 1.18 H new ATOM 1549 N MET A 118 0.582 7.339 -8.206 1.00 0.25 N ATOM 1550 CA MET A 118 1.753 7.921 -8.926 1.00 0.29 C ATOM 1551 C MET A 118 2.973 7.947 -8.003 1.00 0.23 C ATOM 1552 O MET A 118 3.988 7.344 -8.289 1.00 0.07 O ATOM 1553 CB MET A 118 1.420 9.349 -9.364 1.00 0.38 C ATOM 1554 CG MET A 118 0.536 9.309 -10.611 1.00 0.38 C ATOM 1555 SD MET A 118 1.507 8.723 -12.022 1.00 0.68 S ATOM 1556 CE MET A 118 0.421 7.354 -12.493 1.00 2.75 C ATOM 0 H MET A 118 -0.254 7.923 -8.196 1.00 0.25 H new ATOM 0 HA MET A 118 1.977 7.309 -9.800 1.00 0.29 H new ATOM 0 HB2 MET A 118 0.908 9.877 -8.560 1.00 0.38 H new ATOM 0 HB3 MET A 118 2.337 9.899 -9.573 1.00 0.38 H new ATOM 0 HG2 MET A 118 -0.317 8.651 -10.444 1.00 0.38 H new ATOM 0 HG3 MET A 118 0.136 10.302 -10.818 1.00 0.38 H new ATOM 0 HE1 MET A 118 0.918 6.407 -12.285 1.00 2.75 H new ATOM 0 HE2 MET A 118 -0.505 7.411 -11.921 1.00 2.75 H new ATOM 0 HE3 MET A 118 0.195 7.419 -13.557 1.00 2.75 H new ATOM 1566 N SER A 119 2.887 8.642 -6.904 1.00 0.49 N ATOM 1567 CA SER A 119 4.050 8.703 -5.973 1.00 0.53 C ATOM 1568 C SER A 119 4.344 7.299 -5.441 1.00 0.40 C ATOM 1569 O SER A 119 5.481 6.883 -5.357 1.00 0.25 O ATOM 1570 CB SER A 119 3.724 9.635 -4.804 1.00 0.83 C ATOM 1571 OG SER A 119 4.852 9.721 -3.945 1.00 1.37 O ATOM 0 H SER A 119 2.065 9.169 -6.610 1.00 0.49 H new ATOM 0 HA SER A 119 4.923 9.084 -6.504 1.00 0.53 H new ATOM 0 HB2 SER A 119 3.459 10.625 -5.176 1.00 0.83 H new ATOM 0 HB3 SER A 119 2.861 9.260 -4.254 1.00 0.83 H new ATOM 0 HG SER A 119 4.553 9.716 -3.012 1.00 1.37 H new ATOM 1577 N THR A 120 3.324 6.567 -5.088 1.00 0.52 N ATOM 1578 CA THR A 120 3.533 5.186 -4.564 1.00 0.55 C ATOM 1579 C THR A 120 4.344 4.376 -5.587 1.00 0.45 C ATOM 1580 O THR A 120 5.013 3.424 -5.243 1.00 0.54 O ATOM 1581 CB THR A 120 2.161 4.536 -4.302 1.00 0.72 C ATOM 1582 OG1 THR A 120 1.617 5.071 -3.104 1.00 2.07 O ATOM 1583 CG2 THR A 120 2.292 3.019 -4.152 1.00 0.96 C ATOM 0 H THR A 120 2.350 6.866 -5.140 1.00 0.52 H new ATOM 0 HA THR A 120 4.089 5.212 -3.627 1.00 0.55 H new ATOM 0 HB THR A 120 1.509 4.748 -5.150 1.00 0.72 H new ATOM 0 HG1 THR A 120 0.980 5.783 -3.323 1.00 2.07 H new ATOM 0 HG21 THR A 120 1.309 2.585 -3.968 1.00 0.96 H new ATOM 0 HG22 THR A 120 2.709 2.598 -5.067 1.00 0.96 H new ATOM 0 HG23 THR A 120 2.951 2.792 -3.314 1.00 0.96 H new ATOM 1591 N LYS A 121 4.309 4.767 -6.834 1.00 0.33 N ATOM 1592 CA LYS A 121 5.100 4.040 -7.873 1.00 0.30 C ATOM 1593 C LYS A 121 6.509 4.615 -7.860 1.00 0.29 C ATOM 1594 O LYS A 121 7.484 3.923 -8.076 1.00 0.44 O ATOM 1595 CB LYS A 121 4.473 4.263 -9.253 1.00 0.22 C ATOM 1596 CG LYS A 121 3.531 3.106 -9.585 1.00 0.72 C ATOM 1597 CD LYS A 121 4.322 1.984 -10.260 1.00 0.98 C ATOM 1598 CE LYS A 121 4.408 2.252 -11.764 1.00 0.44 C ATOM 1599 NZ LYS A 121 3.345 1.478 -12.468 1.00 0.94 N ATOM 0 H LYS A 121 3.767 5.559 -7.179 1.00 0.33 H new ATOM 0 HA LYS A 121 5.113 2.970 -7.664 1.00 0.30 H new ATOM 0 HB2 LYS A 121 3.925 5.205 -9.266 1.00 0.22 H new ATOM 0 HB3 LYS A 121 5.254 4.337 -10.010 1.00 0.22 H new ATOM 0 HG2 LYS A 121 3.057 2.736 -8.676 1.00 0.72 H new ATOM 0 HG3 LYS A 121 2.733 3.450 -10.243 1.00 0.72 H new ATOM 0 HD2 LYS A 121 5.323 1.923 -9.833 1.00 0.98 H new ATOM 0 HD3 LYS A 121 3.839 1.024 -10.078 1.00 0.98 H new ATOM 0 HE2 LYS A 121 4.289 3.317 -11.962 1.00 0.44 H new ATOM 0 HE3 LYS A 121 5.390 1.966 -12.140 1.00 0.44 H new ATOM 0 HZ1 LYS A 121 3.403 1.660 -13.490 1.00 0.94 H new ATOM 0 HZ2 LYS A 121 3.479 0.462 -12.289 1.00 0.94 H new ATOM 0 HZ3 LYS A 121 2.411 1.772 -12.116 1.00 0.94 H new ATOM 1613 N VAL A 122 6.615 5.884 -7.594 1.00 0.17 N ATOM 1614 CA VAL A 122 7.947 6.534 -7.540 1.00 0.14 C ATOM 1615 C VAL A 122 8.789 5.837 -6.470 1.00 0.11 C ATOM 1616 O VAL A 122 10.000 5.820 -6.535 1.00 0.12 O ATOM 1617 CB VAL A 122 7.775 8.009 -7.183 1.00 0.20 C ATOM 1618 CG1 VAL A 122 9.146 8.673 -7.085 1.00 0.19 C ATOM 1619 CG2 VAL A 122 6.952 8.701 -8.272 1.00 0.22 C ATOM 0 H VAL A 122 5.826 6.504 -7.410 1.00 0.17 H new ATOM 0 HA VAL A 122 8.443 6.457 -8.507 1.00 0.14 H new ATOM 0 HB VAL A 122 7.261 8.094 -6.226 1.00 0.20 H new ATOM 0 HG11 VAL A 122 9.023 9.726 -6.830 1.00 0.19 H new ATOM 0 HG12 VAL A 122 9.735 8.179 -6.312 1.00 0.19 H new ATOM 0 HG13 VAL A 122 9.660 8.589 -8.042 1.00 0.19 H new ATOM 0 HG21 VAL A 122 6.827 9.754 -8.020 1.00 0.22 H new ATOM 0 HG22 VAL A 122 7.468 8.615 -9.228 1.00 0.22 H new ATOM 0 HG23 VAL A 122 5.973 8.227 -8.345 1.00 0.22 H new ATOM 1629 N LEU A 123 8.156 5.249 -5.490 1.00 0.11 N ATOM 1630 CA LEU A 123 8.931 4.538 -4.432 1.00 0.09 C ATOM 1631 C LEU A 123 9.357 3.177 -4.978 1.00 0.03 C ATOM 1632 O LEU A 123 10.388 2.646 -4.625 1.00 0.03 O ATOM 1633 CB LEU A 123 8.055 4.315 -3.190 1.00 0.12 C ATOM 1634 CG LEU A 123 7.926 5.605 -2.370 1.00 0.17 C ATOM 1635 CD1 LEU A 123 9.307 6.200 -2.085 1.00 0.27 C ATOM 1636 CD2 LEU A 123 7.077 6.612 -3.146 1.00 0.54 C ATOM 0 H LEU A 123 7.143 5.230 -5.376 1.00 0.11 H new ATOM 0 HA LEU A 123 9.799 5.137 -4.156 1.00 0.09 H new ATOM 0 HB2 LEU A 123 7.066 3.973 -3.495 1.00 0.12 H new ATOM 0 HB3 LEU A 123 8.488 3.528 -2.572 1.00 0.12 H new ATOM 0 HG LEU A 123 7.447 5.375 -1.418 1.00 0.17 H new ATOM 0 HD11 LEU A 123 9.196 7.115 -1.502 1.00 0.27 H new ATOM 0 HD12 LEU A 123 9.904 5.482 -1.523 1.00 0.27 H new ATOM 0 HD13 LEU A 123 9.806 6.428 -3.027 1.00 0.27 H new ATOM 0 HD21 LEU A 123 6.982 7.531 -2.567 1.00 0.54 H new ATOM 0 HD22 LEU A 123 7.555 6.832 -4.100 1.00 0.54 H new ATOM 0 HD23 LEU A 123 6.087 6.192 -3.325 1.00 0.54 H new ATOM 1648 N ILE A 124 8.558 2.614 -5.838 1.00 0.05 N ATOM 1649 CA ILE A 124 8.891 1.283 -6.422 1.00 0.10 C ATOM 1650 C ILE A 124 10.166 1.401 -7.261 1.00 0.08 C ATOM 1651 O ILE A 124 11.006 0.522 -7.261 1.00 0.02 O ATOM 1652 CB ILE A 124 7.725 0.797 -7.301 1.00 0.24 C ATOM 1653 CG1 ILE A 124 6.403 0.953 -6.534 1.00 0.81 C ATOM 1654 CG2 ILE A 124 7.930 -0.675 -7.658 1.00 0.39 C ATOM 1655 CD1 ILE A 124 5.249 0.368 -7.356 1.00 0.60 C ATOM 0 H ILE A 124 7.681 3.020 -6.165 1.00 0.05 H new ATOM 0 HA ILE A 124 9.054 0.563 -5.620 1.00 0.10 H new ATOM 0 HB ILE A 124 7.691 1.392 -8.214 1.00 0.24 H new ATOM 0 HG12 ILE A 124 6.469 0.445 -5.572 1.00 0.81 H new ATOM 0 HG13 ILE A 124 6.215 2.006 -6.326 1.00 0.81 H new ATOM 0 HG21 ILE A 124 7.103 -1.017 -8.280 1.00 0.39 H new ATOM 0 HG22 ILE A 124 8.867 -0.790 -8.204 1.00 0.39 H new ATOM 0 HG23 ILE A 124 7.967 -1.269 -6.745 1.00 0.39 H new ATOM 0 HD11 ILE A 124 4.315 0.483 -6.805 1.00 0.60 H new ATOM 0 HD12 ILE A 124 5.176 0.895 -8.307 1.00 0.60 H new ATOM 0 HD13 ILE A 124 5.434 -0.690 -7.541 1.00 0.60 H new ATOM 1667 N GLN A 125 10.324 2.484 -7.971 1.00 0.28 N ATOM 1668 CA GLN A 125 11.544 2.655 -8.800 1.00 0.40 C ATOM 1669 C GLN A 125 12.681 3.198 -7.931 1.00 0.46 C ATOM 1670 O GLN A 125 13.719 2.580 -7.792 1.00 0.76 O ATOM 1671 CB GLN A 125 11.238 3.636 -9.928 1.00 0.53 C ATOM 1672 CG GLN A 125 10.949 2.854 -11.207 1.00 0.67 C ATOM 1673 CD GLN A 125 11.401 3.668 -12.422 1.00 0.87 C ATOM 1674 OE1 GLN A 125 11.335 4.881 -12.413 1.00 1.16 O ATOM 1675 NE2 GLN A 125 11.862 3.048 -13.475 1.00 1.02 N ATOM 0 H GLN A 125 9.659 3.257 -8.011 1.00 0.28 H new ATOM 0 HA GLN A 125 11.847 1.696 -9.220 1.00 0.40 H new ATOM 0 HB2 GLN A 125 10.381 4.256 -9.665 1.00 0.53 H new ATOM 0 HB3 GLN A 125 12.082 4.308 -10.081 1.00 0.53 H new ATOM 0 HG2 GLN A 125 11.469 1.896 -11.185 1.00 0.67 H new ATOM 0 HG3 GLN A 125 9.883 2.636 -11.279 1.00 0.67 H new ATOM 0 HE21 GLN A 125 11.918 2.030 -13.483 1.00 1.02 H new ATOM 0 HE22 GLN A 125 12.166 3.582 -14.289 1.00 1.02 H new ATOM 1684 N PHE A 126 12.494 4.348 -7.343 1.00 0.43 N ATOM 1685 CA PHE A 126 13.557 4.939 -6.477 1.00 0.42 C ATOM 1686 C PHE A 126 14.060 3.890 -5.479 1.00 0.44 C ATOM 1687 O PHE A 126 15.180 3.954 -5.012 1.00 0.67 O ATOM 1688 CB PHE A 126 12.988 6.136 -5.711 1.00 0.41 C ATOM 1689 CG PHE A 126 13.109 7.380 -6.558 1.00 0.50 C ATOM 1690 CD1 PHE A 126 12.307 7.531 -7.695 1.00 0.46 C ATOM 1691 CD2 PHE A 126 14.021 8.382 -6.207 1.00 0.88 C ATOM 1692 CE1 PHE A 126 12.417 8.684 -8.481 1.00 0.49 C ATOM 1693 CE2 PHE A 126 14.131 9.536 -6.994 1.00 1.05 C ATOM 1694 CZ PHE A 126 13.329 9.686 -8.131 1.00 0.78 C ATOM 0 H PHE A 126 11.645 4.908 -7.425 1.00 0.43 H new ATOM 0 HA PHE A 126 14.386 5.266 -7.104 1.00 0.42 H new ATOM 0 HB2 PHE A 126 11.943 5.956 -5.458 1.00 0.41 H new ATOM 0 HB3 PHE A 126 13.525 6.269 -4.772 1.00 0.41 H new ATOM 0 HD1 PHE A 126 11.603 6.758 -7.966 1.00 0.46 H new ATOM 0 HD2 PHE A 126 14.640 8.266 -5.330 1.00 0.88 H new ATOM 0 HE1 PHE A 126 11.798 8.800 -9.358 1.00 0.49 H new ATOM 0 HE2 PHE A 126 14.834 10.309 -6.723 1.00 1.05 H new ATOM 0 HZ PHE A 126 13.414 10.575 -8.738 1.00 0.78 H new ATOM 1704 N LEU A 127 13.247 2.921 -5.154 1.00 0.26 N ATOM 1705 CA LEU A 127 13.693 1.870 -4.196 1.00 0.38 C ATOM 1706 C LEU A 127 14.510 0.826 -4.954 1.00 0.41 C ATOM 1707 O LEU A 127 15.540 0.383 -4.496 1.00 0.54 O ATOM 1708 CB LEU A 127 12.482 1.186 -3.557 1.00 0.38 C ATOM 1709 CG LEU A 127 11.884 2.093 -2.479 1.00 1.07 C ATOM 1710 CD1 LEU A 127 10.510 1.559 -2.071 1.00 1.81 C ATOM 1711 CD2 LEU A 127 12.807 2.108 -1.259 1.00 0.85 C ATOM 0 H LEU A 127 12.297 2.812 -5.509 1.00 0.26 H new ATOM 0 HA LEU A 127 14.295 2.331 -3.413 1.00 0.38 H new ATOM 0 HB2 LEU A 127 11.733 0.967 -4.318 1.00 0.38 H new ATOM 0 HB3 LEU A 127 12.780 0.233 -3.120 1.00 0.38 H new ATOM 0 HG LEU A 127 11.780 3.105 -2.870 1.00 1.07 H new ATOM 0 HD11 LEU A 127 10.082 2.204 -1.303 1.00 1.81 H new ATOM 0 HD12 LEU A 127 9.852 1.545 -2.940 1.00 1.81 H new ATOM 0 HD13 LEU A 127 10.615 0.548 -1.678 1.00 1.81 H new ATOM 0 HD21 LEU A 127 12.383 2.754 -0.490 1.00 0.85 H new ATOM 0 HD22 LEU A 127 12.909 1.096 -0.868 1.00 0.85 H new ATOM 0 HD23 LEU A 127 13.788 2.485 -1.549 1.00 0.85 H new ATOM 1723 N GLN A 128 14.052 0.426 -6.108 1.00 0.33 N ATOM 1724 CA GLN A 128 14.799 -0.597 -6.897 1.00 0.41 C ATOM 1725 C GLN A 128 16.269 -0.181 -7.048 1.00 0.75 C ATOM 1726 O GLN A 128 17.172 -0.954 -6.798 1.00 1.04 O ATOM 1727 CB GLN A 128 14.169 -0.726 -8.286 1.00 0.56 C ATOM 1728 CG GLN A 128 13.085 -1.805 -8.261 1.00 0.20 C ATOM 1729 CD GLN A 128 12.383 -1.855 -9.621 1.00 0.62 C ATOM 1730 OE1 GLN A 128 11.172 -1.810 -9.693 1.00 1.42 O ATOM 1731 NE2 GLN A 128 13.099 -1.947 -10.708 1.00 1.69 N ATOM 0 H GLN A 128 13.192 0.763 -6.540 1.00 0.33 H new ATOM 0 HA GLN A 128 14.749 -1.552 -6.374 1.00 0.41 H new ATOM 0 HB2 GLN A 128 13.739 0.228 -8.591 1.00 0.56 H new ATOM 0 HB3 GLN A 128 14.933 -0.981 -9.020 1.00 0.56 H new ATOM 0 HG2 GLN A 128 13.527 -2.775 -8.032 1.00 0.20 H new ATOM 0 HG3 GLN A 128 12.362 -1.591 -7.474 1.00 0.20 H new ATOM 0 HE21 GLN A 128 14.116 -1.985 -10.647 1.00 1.69 H new ATOM 0 HE22 GLN A 128 12.641 -1.981 -11.619 1.00 1.69 H new ATOM 1740 N LYS A 129 16.519 1.030 -7.470 1.00 0.78 N ATOM 1741 CA LYS A 129 17.932 1.478 -7.653 1.00 1.12 C ATOM 1742 C LYS A 129 18.543 1.899 -6.311 1.00 1.19 C ATOM 1743 O LYS A 129 19.700 1.647 -6.045 1.00 1.44 O ATOM 1744 CB LYS A 129 17.968 2.666 -8.616 1.00 1.23 C ATOM 1745 CG LYS A 129 17.391 2.244 -9.967 1.00 1.11 C ATOM 1746 CD LYS A 129 16.223 3.162 -10.329 1.00 0.78 C ATOM 1747 CE LYS A 129 15.782 2.887 -11.768 1.00 0.99 C ATOM 1748 NZ LYS A 129 14.593 1.988 -11.761 1.00 2.61 N ATOM 0 H LYS A 129 15.809 1.727 -7.695 1.00 0.78 H new ATOM 0 HA LYS A 129 18.511 0.649 -8.059 1.00 1.12 H new ATOM 0 HB2 LYS A 129 17.394 3.497 -8.207 1.00 1.23 H new ATOM 0 HB3 LYS A 129 18.993 3.017 -8.740 1.00 1.23 H new ATOM 0 HG2 LYS A 129 18.161 2.297 -10.736 1.00 1.11 H new ATOM 0 HG3 LYS A 129 17.054 1.208 -9.924 1.00 1.11 H new ATOM 0 HD2 LYS A 129 15.391 2.996 -9.645 1.00 0.78 H new ATOM 0 HD3 LYS A 129 16.520 4.205 -10.222 1.00 0.78 H new ATOM 0 HE2 LYS A 129 15.540 3.823 -12.271 1.00 0.99 H new ATOM 0 HE3 LYS A 129 16.596 2.426 -12.327 1.00 0.99 H new ATOM 0 HZ1 LYS A 129 14.293 1.801 -12.739 1.00 2.61 H new ATOM 0 HZ2 LYS A 129 14.839 1.090 -11.297 1.00 2.61 H new ATOM 0 HZ3 LYS A 129 13.816 2.444 -11.242 1.00 2.61 H new ATOM 1762 N LYS A 130 17.783 2.547 -5.470 1.00 1.02 N ATOM 1763 CA LYS A 130 18.339 2.989 -4.155 1.00 1.22 C ATOM 1764 C LYS A 130 18.427 1.812 -3.183 1.00 1.18 C ATOM 1765 O LYS A 130 18.867 1.965 -2.060 1.00 1.20 O ATOM 1766 CB LYS A 130 17.440 4.074 -3.559 1.00 1.30 C ATOM 1767 CG LYS A 130 18.207 4.837 -2.477 1.00 1.52 C ATOM 1768 CD LYS A 130 17.868 4.257 -1.101 1.00 1.58 C ATOM 1769 CE LYS A 130 19.160 4.024 -0.312 1.00 2.05 C ATOM 1770 NZ LYS A 130 18.894 3.075 0.807 1.00 2.07 N ATOM 0 H LYS A 130 16.806 2.789 -5.634 1.00 1.02 H new ATOM 0 HA LYS A 130 19.342 3.385 -4.317 1.00 1.22 H new ATOM 0 HB2 LYS A 130 17.114 4.760 -4.340 1.00 1.30 H new ATOM 0 HB3 LYS A 130 16.542 3.624 -3.134 1.00 1.30 H new ATOM 0 HG2 LYS A 130 19.279 4.766 -2.659 1.00 1.52 H new ATOM 0 HG3 LYS A 130 17.948 5.895 -2.511 1.00 1.52 H new ATOM 0 HD2 LYS A 130 17.216 4.940 -0.557 1.00 1.58 H new ATOM 0 HD3 LYS A 130 17.324 3.319 -1.214 1.00 1.58 H new ATOM 0 HE2 LYS A 130 19.932 3.622 -0.968 1.00 2.05 H new ATOM 0 HE3 LYS A 130 19.535 4.969 0.080 1.00 2.05 H new ATOM 0 HZ1 LYS A 130 19.771 2.916 1.343 1.00 2.07 H new ATOM 0 HZ2 LYS A 130 18.170 3.476 1.437 1.00 2.07 H new ATOM 0 HZ3 LYS A 130 18.555 2.170 0.422 1.00 2.07 H new ATOM 1784 N ALA A 131 18.036 0.639 -3.595 1.00 1.12 N ATOM 1785 CA ALA A 131 18.130 -0.525 -2.679 1.00 1.08 C ATOM 1786 C ALA A 131 19.386 -1.313 -3.035 1.00 0.91 C ATOM 1787 O ALA A 131 19.362 -2.525 -3.126 1.00 0.98 O ATOM 1788 CB ALA A 131 16.894 -1.412 -2.830 1.00 1.37 C ATOM 0 H ALA A 131 17.658 0.439 -4.521 1.00 1.12 H new ATOM 0 HA ALA A 131 18.182 -0.184 -1.645 1.00 1.08 H new ATOM 0 HB1 ALA A 131 16.972 -2.263 -2.154 1.00 1.37 H new ATOM 0 HB2 ALA A 131 16.001 -0.836 -2.587 1.00 1.37 H new ATOM 0 HB3 ALA A 131 16.826 -1.770 -3.857 1.00 1.37 H new ATOM 1794 N LYS A 132 20.483 -0.621 -3.249 1.00 0.82 N ATOM 1795 CA LYS A 132 21.770 -1.302 -3.613 1.00 0.90 C ATOM 1796 C LYS A 132 21.962 -2.566 -2.766 1.00 1.09 C ATOM 1797 O LYS A 132 21.606 -2.605 -1.605 1.00 1.12 O ATOM 1798 CB LYS A 132 22.937 -0.345 -3.364 1.00 1.00 C ATOM 1799 CG LYS A 132 22.910 0.126 -1.909 1.00 1.32 C ATOM 1800 CD LYS A 132 24.319 0.046 -1.321 1.00 2.06 C ATOM 1801 CE LYS A 132 24.400 -1.124 -0.339 1.00 3.30 C ATOM 1802 NZ LYS A 132 25.305 -0.766 0.789 1.00 3.93 N ATOM 0 H LYS A 132 20.542 0.395 -3.186 1.00 0.82 H new ATOM 0 HA LYS A 132 21.736 -1.583 -4.666 1.00 0.90 H new ATOM 0 HB2 LYS A 132 23.882 -0.844 -3.578 1.00 1.00 H new ATOM 0 HB3 LYS A 132 22.869 0.511 -4.036 1.00 1.00 H new ATOM 0 HG2 LYS A 132 22.539 1.149 -1.854 1.00 1.32 H new ATOM 0 HG3 LYS A 132 22.226 -0.493 -1.328 1.00 1.32 H new ATOM 0 HD2 LYS A 132 25.050 -0.085 -2.119 1.00 2.06 H new ATOM 0 HD3 LYS A 132 24.565 0.978 -0.813 1.00 2.06 H new ATOM 0 HE2 LYS A 132 23.407 -1.364 0.040 1.00 3.30 H new ATOM 0 HE3 LYS A 132 24.770 -2.014 -0.848 1.00 3.30 H new ATOM 0 HZ1 LYS A 132 25.360 -1.562 1.456 1.00 3.93 H new ATOM 0 HZ2 LYS A 132 26.255 -0.558 0.420 1.00 3.93 H new ATOM 0 HZ3 LYS A 132 24.933 0.072 1.280 1.00 3.93 H new ATOM 1816 N ASN A 133 22.503 -3.602 -3.344 1.00 1.31 N ATOM 1817 CA ASN A 133 22.693 -4.862 -2.575 1.00 1.56 C ATOM 1818 C ASN A 133 21.323 -5.373 -2.138 1.00 1.49 C ATOM 1819 O ASN A 133 21.144 -5.867 -1.043 1.00 1.60 O ATOM 1820 CB ASN A 133 23.565 -4.592 -1.346 1.00 1.73 C ATOM 1821 CG ASN A 133 24.004 -5.920 -0.728 1.00 2.61 C ATOM 1822 OD1 ASN A 133 25.204 -6.372 -0.968 1.00 3.49 O flip ATOM 1823 ND2 ASN A 133 23.247 -6.552 -0.018 1.00 2.79 N flip ATOM 0 H ASN A 133 22.821 -3.630 -4.313 1.00 1.31 H new ATOM 0 HA ASN A 133 23.188 -5.609 -3.196 1.00 1.56 H new ATOM 0 HB2 ASN A 133 24.438 -4.004 -1.629 1.00 1.73 H new ATOM 0 HB3 ASN A 133 23.009 -4.005 -0.615 1.00 1.73 H new ATOM 0 HD21 ASN A 133 22.309 -6.198 0.169 1.00 2.79 H new ATOM 0 HD22 ASN A 133 23.550 -7.436 0.391 1.00 2.79 H new ATOM 1830 N LEU A 134 20.355 -5.241 -2.998 1.00 1.35 N ATOM 1831 CA LEU A 134 18.975 -5.695 -2.669 1.00 1.31 C ATOM 1832 C LEU A 134 18.025 -5.242 -3.775 1.00 1.59 C ATOM 1833 O LEU A 134 18.446 -4.844 -4.844 1.00 2.09 O ATOM 1834 CB LEU A 134 18.539 -5.067 -1.346 1.00 1.34 C ATOM 1835 CG LEU A 134 18.304 -6.166 -0.310 1.00 1.82 C ATOM 1836 CD1 LEU A 134 18.489 -5.591 1.094 1.00 1.84 C ATOM 1837 CD2 LEU A 134 16.880 -6.706 -0.454 1.00 2.46 C ATOM 0 H LEU A 134 20.461 -4.833 -3.927 1.00 1.35 H new ATOM 0 HA LEU A 134 18.955 -6.781 -2.584 1.00 1.31 H new ATOM 0 HB2 LEU A 134 19.303 -4.376 -0.991 1.00 1.34 H new ATOM 0 HB3 LEU A 134 17.627 -4.488 -1.490 1.00 1.34 H new ATOM 0 HG LEU A 134 19.018 -6.974 -0.470 1.00 1.82 H new ATOM 0 HD11 LEU A 134 18.321 -6.374 1.833 1.00 1.84 H new ATOM 0 HD12 LEU A 134 19.503 -5.205 1.198 1.00 1.84 H new ATOM 0 HD13 LEU A 134 17.775 -4.783 1.253 1.00 1.84 H new ATOM 0 HD21 LEU A 134 16.712 -7.490 0.285 1.00 2.46 H new ATOM 0 HD22 LEU A 134 16.166 -5.898 -0.294 1.00 2.46 H new ATOM 0 HD23 LEU A 134 16.746 -7.116 -1.455 1.00 2.46 H new ATOM 1849 N ASP A 135 16.746 -5.290 -3.523 1.00 1.71 N ATOM 1850 CA ASP A 135 15.756 -4.854 -4.549 1.00 2.59 C ATOM 1851 C ASP A 135 15.665 -5.916 -5.647 1.00 1.48 C ATOM 1852 O ASP A 135 16.365 -6.909 -5.631 1.00 0.73 O ATOM 1853 CB ASP A 135 16.179 -3.469 -5.113 1.00 3.92 C ATOM 1854 CG ASP A 135 16.559 -3.530 -6.604 1.00 4.73 C ATOM 1855 OD1 ASP A 135 15.662 -3.456 -7.429 1.00 5.48 O ATOM 1856 OD2 ASP A 135 17.739 -3.650 -6.891 1.00 4.84 O ATOM 0 H ASP A 135 16.341 -5.615 -2.645 1.00 1.71 H new ATOM 0 HA ASP A 135 14.766 -4.746 -4.106 1.00 2.59 H new ATOM 0 HB2 ASP A 135 15.362 -2.761 -4.979 1.00 3.92 H new ATOM 0 HB3 ASP A 135 17.026 -3.091 -4.541 1.00 3.92 H new ATOM 1861 N ALA A 136 14.801 -5.707 -6.600 1.00 1.75 N ATOM 1862 CA ALA A 136 14.648 -6.687 -7.707 1.00 1.53 C ATOM 1863 C ALA A 136 13.974 -7.927 -7.168 1.00 1.55 C ATOM 1864 O ALA A 136 14.275 -9.044 -7.541 1.00 2.71 O ATOM 1865 CB ALA A 136 16.012 -7.039 -8.291 1.00 1.32 C ATOM 0 H ALA A 136 14.190 -4.892 -6.659 1.00 1.75 H new ATOM 0 HA ALA A 136 14.039 -6.254 -8.501 1.00 1.53 H new ATOM 0 HB1 ALA A 136 15.887 -7.758 -9.101 1.00 1.32 H new ATOM 0 HB2 ALA A 136 16.486 -6.137 -8.677 1.00 1.32 H new ATOM 0 HB3 ALA A 136 16.639 -7.475 -7.513 1.00 1.32 H new ATOM 1871 N ILE A 137 13.044 -7.720 -6.296 1.00 1.22 N ATOM 1872 CA ILE A 137 12.292 -8.840 -5.700 1.00 1.19 C ATOM 1873 C ILE A 137 11.361 -9.470 -6.747 1.00 1.27 C ATOM 1874 O ILE A 137 10.685 -10.443 -6.473 1.00 1.52 O ATOM 1875 CB ILE A 137 11.501 -8.256 -4.520 1.00 1.41 C ATOM 1876 CG1 ILE A 137 12.404 -8.225 -3.286 1.00 1.70 C ATOM 1877 CG2 ILE A 137 10.247 -9.078 -4.228 1.00 1.82 C ATOM 1878 CD1 ILE A 137 13.646 -7.379 -3.588 1.00 1.40 C ATOM 0 H ILE A 137 12.766 -6.797 -5.963 1.00 1.22 H new ATOM 0 HA ILE A 137 12.956 -9.633 -5.355 1.00 1.19 H new ATOM 0 HB ILE A 137 11.181 -7.246 -4.778 1.00 1.41 H new ATOM 0 HG12 ILE A 137 11.864 -7.808 -2.436 1.00 1.70 H new ATOM 0 HG13 ILE A 137 12.698 -9.238 -3.011 1.00 1.70 H new ATOM 0 HG21 ILE A 137 9.711 -8.637 -3.388 1.00 1.82 H new ATOM 0 HG22 ILE A 137 9.603 -9.083 -5.107 1.00 1.82 H new ATOM 0 HG23 ILE A 137 10.532 -10.101 -3.981 1.00 1.82 H new ATOM 0 HD11 ILE A 137 14.292 -7.355 -2.710 1.00 1.40 H new ATOM 0 HD12 ILE A 137 14.189 -7.816 -4.426 1.00 1.40 H new ATOM 0 HD13 ILE A 137 13.342 -6.364 -3.843 1.00 1.40 H new ATOM 1890 N THR A 138 11.307 -8.931 -7.930 1.00 1.56 N ATOM 1891 CA THR A 138 10.408 -9.506 -8.959 1.00 1.71 C ATOM 1892 C THR A 138 8.969 -9.232 -8.538 1.00 1.31 C ATOM 1893 O THR A 138 8.697 -8.285 -7.830 1.00 1.21 O ATOM 1894 CB THR A 138 10.633 -11.018 -9.078 1.00 2.11 C ATOM 1895 OG1 THR A 138 11.917 -11.350 -8.566 1.00 2.51 O ATOM 1896 CG2 THR A 138 10.543 -11.434 -10.548 1.00 2.64 C ATOM 0 H THR A 138 11.847 -8.118 -8.227 1.00 1.56 H new ATOM 0 HA THR A 138 10.615 -9.052 -9.928 1.00 1.71 H new ATOM 0 HB THR A 138 9.869 -11.544 -8.506 1.00 2.11 H new ATOM 0 HG1 THR A 138 12.059 -12.317 -8.641 1.00 2.51 H new ATOM 0 HG21 THR A 138 10.703 -12.509 -10.632 1.00 2.64 H new ATOM 0 HG22 THR A 138 9.557 -11.182 -10.938 1.00 2.64 H new ATOM 0 HG23 THR A 138 11.305 -10.908 -11.122 1.00 2.64 H new ATOM 1904 N THR A 139 8.046 -10.043 -8.958 1.00 1.19 N ATOM 1905 CA THR A 139 6.636 -9.813 -8.568 1.00 1.09 C ATOM 1906 C THR A 139 5.908 -11.163 -8.469 1.00 1.07 C ATOM 1907 O THR A 139 5.535 -11.729 -9.478 1.00 1.31 O ATOM 1908 CB THR A 139 5.978 -8.932 -9.621 1.00 1.73 C ATOM 1909 OG1 THR A 139 4.609 -8.736 -9.293 1.00 2.29 O ATOM 1910 CG2 THR A 139 6.094 -9.598 -10.991 1.00 1.72 C ATOM 0 H THR A 139 8.208 -10.855 -9.554 1.00 1.19 H new ATOM 0 HA THR A 139 6.586 -9.318 -7.598 1.00 1.09 H new ATOM 0 HB THR A 139 6.480 -7.965 -9.649 1.00 1.73 H new ATOM 0 HG1 THR A 139 4.188 -8.167 -9.971 1.00 2.29 H new ATOM 0 HG21 THR A 139 5.623 -8.966 -11.744 1.00 1.72 H new ATOM 0 HG22 THR A 139 7.146 -9.736 -11.240 1.00 1.72 H new ATOM 0 HG23 THR A 139 5.596 -10.567 -10.968 1.00 1.72 H new ATOM 1958 N THR A 143 0.261 -12.661 -12.682 1.00 1.55 N ATOM 1959 CA THR A 143 -0.933 -13.045 -13.475 1.00 1.07 C ATOM 1960 C THR A 143 -2.021 -13.463 -12.501 1.00 1.10 C ATOM 1961 O THR A 143 -3.194 -13.237 -12.724 1.00 0.93 O ATOM 1962 CB THR A 143 -0.584 -14.212 -14.400 1.00 1.17 C ATOM 1963 OG1 THR A 143 -0.507 -15.411 -13.639 1.00 1.98 O ATOM 1964 CG2 THR A 143 0.764 -13.942 -15.067 1.00 1.08 C ATOM 0 HA THR A 143 -1.272 -12.209 -14.087 1.00 1.07 H new ATOM 0 HB THR A 143 -1.354 -14.317 -15.165 1.00 1.17 H new ATOM 0 HG1 THR A 143 -0.285 -16.160 -14.230 1.00 1.98 H new ATOM 0 HG21 THR A 143 1.016 -14.772 -15.727 1.00 1.08 H new ATOM 0 HG22 THR A 143 0.705 -13.021 -15.648 1.00 1.08 H new ATOM 0 HG23 THR A 143 1.534 -13.840 -14.303 1.00 1.08 H new ATOM 1972 N THR A 144 -1.638 -14.048 -11.399 1.00 1.51 N ATOM 1973 CA THR A 144 -2.653 -14.445 -10.398 1.00 1.70 C ATOM 1974 C THR A 144 -3.237 -13.163 -9.810 1.00 1.51 C ATOM 1975 O THR A 144 -4.390 -13.108 -9.441 1.00 1.53 O ATOM 1976 CB THR A 144 -2.003 -15.284 -9.298 1.00 2.20 C ATOM 1977 OG1 THR A 144 -1.338 -16.395 -9.883 1.00 2.55 O ATOM 1978 CG2 THR A 144 -3.078 -15.783 -8.331 1.00 2.47 C ATOM 0 H THR A 144 -0.672 -14.265 -11.155 1.00 1.51 H new ATOM 0 HA THR A 144 -3.437 -15.046 -10.859 1.00 1.70 H new ATOM 0 HB THR A 144 -1.283 -14.674 -8.753 1.00 2.20 H new ATOM 0 HG1 THR A 144 -0.919 -16.933 -9.179 1.00 2.55 H new ATOM 0 HG21 THR A 144 -2.613 -16.381 -7.547 1.00 2.47 H new ATOM 0 HG22 THR A 144 -3.588 -14.930 -7.883 1.00 2.47 H new ATOM 0 HG23 THR A 144 -3.800 -16.394 -8.873 1.00 2.47 H new ATOM 1986 N ASN A 145 -2.447 -12.114 -9.754 1.00 1.38 N ATOM 1987 CA ASN A 145 -2.962 -10.815 -9.229 1.00 1.18 C ATOM 1988 C ASN A 145 -4.009 -10.286 -10.206 1.00 0.81 C ATOM 1989 O ASN A 145 -4.884 -9.529 -9.844 1.00 0.73 O ATOM 1990 CB ASN A 145 -1.825 -9.799 -9.108 1.00 1.22 C ATOM 1991 CG ASN A 145 -1.529 -9.542 -7.628 1.00 1.44 C ATOM 1992 OD1 ASN A 145 -2.522 -9.372 -6.792 1.00 1.71 O flip ATOM 1993 ND2 ASN A 145 -0.383 -9.493 -7.225 1.00 1.36 N flip ATOM 0 H ASN A 145 -1.471 -12.105 -10.049 1.00 1.38 H new ATOM 0 HA ASN A 145 -3.398 -10.967 -8.241 1.00 1.18 H new ATOM 0 HB2 ASN A 145 -0.933 -10.174 -9.609 1.00 1.22 H new ATOM 0 HB3 ASN A 145 -2.101 -8.867 -9.602 1.00 1.22 H new ATOM 0 HD21 ASN A 145 0.392 -9.625 -7.875 1.00 1.36 H new ATOM 0 HD22 ASN A 145 -0.197 -9.320 -6.237 1.00 1.36 H new ATOM 2000 N ALA A 146 -3.928 -10.690 -11.448 1.00 0.61 N ATOM 2001 CA ALA A 146 -4.925 -10.231 -12.452 1.00 0.42 C ATOM 2002 C ALA A 146 -6.293 -10.765 -12.043 1.00 0.85 C ATOM 2003 O ALA A 146 -7.304 -10.110 -12.201 1.00 1.06 O ATOM 2004 CB ALA A 146 -4.540 -10.774 -13.832 1.00 0.27 C ATOM 0 H ALA A 146 -3.211 -11.320 -11.808 1.00 0.61 H new ATOM 0 HA ALA A 146 -4.951 -9.142 -12.498 1.00 0.42 H new ATOM 0 HB1 ALA A 146 -5.268 -10.440 -14.571 1.00 0.27 H new ATOM 0 HB2 ALA A 146 -3.551 -10.406 -14.105 1.00 0.27 H new ATOM 0 HB3 ALA A 146 -4.526 -11.864 -13.803 1.00 0.27 H new ATOM 2010 N SER A 147 -6.327 -11.947 -11.492 1.00 1.13 N ATOM 2011 CA SER A 147 -7.623 -12.520 -11.045 1.00 1.56 C ATOM 2012 C SER A 147 -7.969 -11.914 -9.686 1.00 1.52 C ATOM 2013 O SER A 147 -9.117 -11.674 -9.371 1.00 1.70 O ATOM 2014 CB SER A 147 -7.494 -14.038 -10.914 1.00 1.92 C ATOM 2015 OG SER A 147 -8.691 -14.654 -11.374 1.00 2.42 O ATOM 0 H SER A 147 -5.512 -12.539 -11.333 1.00 1.13 H new ATOM 0 HA SER A 147 -8.406 -12.294 -11.769 1.00 1.56 H new ATOM 0 HB2 SER A 147 -6.643 -14.393 -11.494 1.00 1.92 H new ATOM 0 HB3 SER A 147 -7.308 -14.310 -9.875 1.00 1.92 H new ATOM 0 HG SER A 147 -8.610 -15.627 -11.293 1.00 2.42 H new ATOM 2021 N LEU A 148 -6.977 -11.637 -8.885 1.00 1.33 N ATOM 2022 CA LEU A 148 -7.245 -11.017 -7.562 1.00 1.26 C ATOM 2023 C LEU A 148 -7.855 -9.639 -7.813 1.00 1.07 C ATOM 2024 O LEU A 148 -8.582 -9.119 -7.002 1.00 1.15 O ATOM 2025 CB LEU A 148 -5.930 -10.900 -6.774 1.00 1.12 C ATOM 2026 CG LEU A 148 -6.028 -9.808 -5.697 1.00 0.92 C ATOM 2027 CD1 LEU A 148 -7.220 -10.070 -4.776 1.00 1.17 C ATOM 2028 CD2 LEU A 148 -4.752 -9.807 -4.869 1.00 0.85 C ATOM 0 H LEU A 148 -5.994 -11.814 -9.092 1.00 1.33 H new ATOM 0 HA LEU A 148 -7.934 -11.624 -6.975 1.00 1.26 H new ATOM 0 HB2 LEU A 148 -5.696 -11.856 -6.307 1.00 1.12 H new ATOM 0 HB3 LEU A 148 -5.112 -10.670 -7.457 1.00 1.12 H new ATOM 0 HG LEU A 148 -6.163 -8.843 -6.185 1.00 0.92 H new ATOM 0 HD11 LEU A 148 -7.274 -9.287 -4.019 1.00 1.17 H new ATOM 0 HD12 LEU A 148 -8.139 -10.072 -5.362 1.00 1.17 H new ATOM 0 HD13 LEU A 148 -7.098 -11.037 -4.289 1.00 1.17 H new ATOM 0 HD21 LEU A 148 -4.816 -9.034 -4.103 1.00 0.85 H new ATOM 0 HD22 LEU A 148 -4.626 -10.780 -4.393 1.00 0.85 H new ATOM 0 HD23 LEU A 148 -3.898 -9.607 -5.516 1.00 0.85 H new ATOM 2040 N LEU A 149 -7.582 -9.057 -8.943 1.00 1.03 N ATOM 2041 CA LEU A 149 -8.176 -7.736 -9.250 1.00 0.91 C ATOM 2042 C LEU A 149 -9.552 -8.005 -9.850 1.00 1.15 C ATOM 2043 O LEU A 149 -10.498 -7.273 -9.633 1.00 1.27 O ATOM 2044 CB LEU A 149 -7.283 -6.990 -10.250 1.00 0.68 C ATOM 2045 CG LEU A 149 -7.996 -5.741 -10.784 1.00 0.78 C ATOM 2046 CD1 LEU A 149 -8.532 -4.902 -9.618 1.00 1.00 C ATOM 2047 CD2 LEU A 149 -7.001 -4.910 -11.598 1.00 0.59 C ATOM 0 H LEU A 149 -6.973 -9.441 -9.666 1.00 1.03 H new ATOM 0 HA LEU A 149 -8.262 -7.116 -8.358 1.00 0.91 H new ATOM 0 HB2 LEU A 149 -6.348 -6.703 -9.768 1.00 0.68 H new ATOM 0 HB3 LEU A 149 -7.025 -7.650 -11.078 1.00 0.68 H new ATOM 0 HG LEU A 149 -8.832 -6.043 -11.415 1.00 0.78 H new ATOM 0 HD11 LEU A 149 -9.036 -4.018 -10.008 1.00 1.00 H new ATOM 0 HD12 LEU A 149 -9.238 -5.496 -9.037 1.00 1.00 H new ATOM 0 HD13 LEU A 149 -7.704 -4.595 -8.979 1.00 1.00 H new ATOM 0 HD21 LEU A 149 -7.499 -4.020 -11.982 1.00 0.59 H new ATOM 0 HD22 LEU A 149 -6.168 -4.614 -10.961 1.00 0.59 H new ATOM 0 HD23 LEU A 149 -6.627 -5.504 -12.432 1.00 0.59 H new ATOM 2059 N THR A 150 -9.672 -9.090 -10.570 1.00 1.22 N ATOM 2060 CA THR A 150 -10.986 -9.459 -11.150 1.00 1.42 C ATOM 2061 C THR A 150 -11.803 -10.197 -10.069 1.00 1.36 C ATOM 2062 O THR A 150 -12.917 -10.625 -10.299 1.00 1.29 O ATOM 2063 CB THR A 150 -10.758 -10.342 -12.405 1.00 1.71 C ATOM 2064 OG1 THR A 150 -11.782 -10.081 -13.353 1.00 2.01 O ATOM 2065 CG2 THR A 150 -10.759 -11.839 -12.063 1.00 1.48 C ATOM 0 H THR A 150 -8.910 -9.735 -10.779 1.00 1.22 H new ATOM 0 HA THR A 150 -11.543 -8.576 -11.463 1.00 1.42 H new ATOM 0 HB THR A 150 -9.779 -10.092 -12.815 1.00 1.71 H new ATOM 0 HG1 THR A 150 -11.641 -10.636 -14.148 1.00 2.01 H new ATOM 0 HG21 THR A 150 -10.596 -12.420 -12.971 1.00 1.48 H new ATOM 0 HG22 THR A 150 -9.962 -12.050 -11.350 1.00 1.48 H new ATOM 0 HG23 THR A 150 -11.719 -12.112 -11.625 1.00 1.48 H new ATOM 2073 N LYS A 151 -11.246 -10.348 -8.887 1.00 1.46 N ATOM 2074 CA LYS A 151 -11.969 -11.050 -7.796 1.00 1.45 C ATOM 2075 C LYS A 151 -12.395 -10.034 -6.736 1.00 1.20 C ATOM 2076 O LYS A 151 -13.482 -10.109 -6.207 1.00 1.25 O ATOM 2077 CB LYS A 151 -11.051 -12.092 -7.159 1.00 1.50 C ATOM 2078 CG LYS A 151 -11.865 -12.968 -6.206 1.00 1.66 C ATOM 2079 CD LYS A 151 -11.481 -12.650 -4.759 1.00 2.00 C ATOM 2080 CE LYS A 151 -11.078 -13.942 -4.047 1.00 2.01 C ATOM 2081 NZ LYS A 151 -12.297 -14.748 -3.757 1.00 3.07 N ATOM 0 H LYS A 151 -10.316 -10.010 -8.639 1.00 1.46 H new ATOM 0 HA LYS A 151 -12.850 -11.545 -8.205 1.00 1.45 H new ATOM 0 HB2 LYS A 151 -10.589 -12.707 -7.931 1.00 1.50 H new ATOM 0 HB3 LYS A 151 -10.243 -11.599 -6.618 1.00 1.50 H new ATOM 0 HG2 LYS A 151 -12.930 -12.794 -6.357 1.00 1.66 H new ATOM 0 HG3 LYS A 151 -11.681 -14.021 -6.418 1.00 1.66 H new ATOM 0 HD2 LYS A 151 -10.657 -11.937 -4.738 1.00 2.00 H new ATOM 0 HD3 LYS A 151 -12.320 -12.183 -4.242 1.00 2.00 H new ATOM 0 HE2 LYS A 151 -10.390 -14.514 -4.670 1.00 2.01 H new ATOM 0 HE3 LYS A 151 -10.552 -13.711 -3.120 1.00 2.01 H new ATOM 0 HZ1 LYS A 151 -12.025 -15.627 -3.273 1.00 3.07 H new ATOM 0 HZ2 LYS A 151 -12.938 -14.201 -3.147 1.00 3.07 H new ATOM 0 HZ3 LYS A 151 -12.780 -14.979 -4.648 1.00 3.07 H new ATOM 2095 N LEU A 152 -11.560 -9.070 -6.431 1.00 0.94 N ATOM 2096 CA LEU A 152 -11.955 -8.056 -5.422 1.00 0.74 C ATOM 2097 C LEU A 152 -13.164 -7.319 -5.974 1.00 0.85 C ATOM 2098 O LEU A 152 -14.072 -6.951 -5.257 1.00 0.83 O ATOM 2099 CB LEU A 152 -10.823 -7.045 -5.197 1.00 0.59 C ATOM 2100 CG LEU A 152 -9.537 -7.753 -4.764 1.00 0.76 C ATOM 2101 CD1 LEU A 152 -8.330 -6.977 -5.305 1.00 0.47 C ATOM 2102 CD2 LEU A 152 -9.451 -7.791 -3.239 1.00 1.20 C ATOM 0 H LEU A 152 -10.632 -8.947 -6.836 1.00 0.94 H new ATOM 0 HA LEU A 152 -12.176 -8.544 -4.473 1.00 0.74 H new ATOM 0 HB2 LEU A 152 -10.643 -6.484 -6.114 1.00 0.59 H new ATOM 0 HB3 LEU A 152 -11.120 -6.324 -4.436 1.00 0.59 H new ATOM 0 HG LEU A 152 -9.540 -8.771 -5.155 1.00 0.76 H new ATOM 0 HD11 LEU A 152 -7.410 -7.476 -5.000 1.00 0.47 H new ATOM 0 HD12 LEU A 152 -8.379 -6.940 -6.393 1.00 0.47 H new ATOM 0 HD13 LEU A 152 -8.341 -5.962 -4.907 1.00 0.47 H new ATOM 0 HD21 LEU A 152 -8.533 -8.296 -2.939 1.00 1.20 H new ATOM 0 HD22 LEU A 152 -9.449 -6.773 -2.849 1.00 1.20 H new ATOM 0 HD23 LEU A 152 -10.310 -8.331 -2.839 1.00 1.20 H new ATOM 2114 N GLN A 153 -13.172 -7.099 -7.261 1.00 1.02 N ATOM 2115 CA GLN A 153 -14.310 -6.381 -7.882 1.00 1.20 C ATOM 2116 C GLN A 153 -15.442 -7.364 -8.211 1.00 1.28 C ATOM 2117 O GLN A 153 -16.569 -6.969 -8.436 1.00 1.38 O ATOM 2118 CB GLN A 153 -13.844 -5.695 -9.169 1.00 1.45 C ATOM 2119 CG GLN A 153 -13.165 -4.368 -8.824 1.00 1.45 C ATOM 2120 CD GLN A 153 -13.568 -3.302 -9.848 1.00 1.70 C ATOM 2121 OE1 GLN A 153 -14.209 -2.329 -9.507 1.00 2.77 O ATOM 2122 NE2 GLN A 153 -13.215 -3.446 -11.096 1.00 0.84 N ATOM 0 H GLN A 153 -12.436 -7.388 -7.906 1.00 1.02 H new ATOM 0 HA GLN A 153 -14.680 -5.634 -7.180 1.00 1.20 H new ATOM 0 HB2 GLN A 153 -13.151 -6.341 -9.707 1.00 1.45 H new ATOM 0 HB3 GLN A 153 -14.694 -5.520 -9.829 1.00 1.45 H new ATOM 0 HG2 GLN A 153 -13.453 -4.051 -7.822 1.00 1.45 H new ATOM 0 HG3 GLN A 153 -12.082 -4.492 -8.821 1.00 1.45 H new ATOM 0 HE21 GLN A 153 -12.676 -4.263 -11.383 1.00 0.84 H new ATOM 0 HE22 GLN A 153 -13.478 -2.741 -11.785 1.00 0.84 H new ATOM 2131 N ALA A 154 -15.154 -8.638 -8.249 1.00 1.29 N ATOM 2132 CA ALA A 154 -16.220 -9.633 -8.575 1.00 1.45 C ATOM 2133 C ALA A 154 -16.902 -10.122 -7.292 1.00 1.18 C ATOM 2134 O ALA A 154 -17.944 -10.748 -7.336 1.00 1.72 O ATOM 2135 CB ALA A 154 -15.597 -10.826 -9.301 1.00 1.72 C ATOM 0 H ALA A 154 -14.231 -9.033 -8.069 1.00 1.29 H new ATOM 0 HA ALA A 154 -16.964 -9.156 -9.214 1.00 1.45 H new ATOM 0 HB1 ALA A 154 -16.374 -11.553 -9.539 1.00 1.72 H new ATOM 0 HB2 ALA A 154 -15.124 -10.485 -10.222 1.00 1.72 H new ATOM 0 HB3 ALA A 154 -14.849 -11.292 -8.660 1.00 1.72 H new ATOM 2141 N GLN A 155 -16.330 -9.849 -6.152 1.00 0.38 N ATOM 2142 CA GLN A 155 -16.955 -10.309 -4.882 1.00 0.29 C ATOM 2143 C GLN A 155 -18.318 -9.640 -4.714 1.00 0.25 C ATOM 2144 O GLN A 155 -18.795 -8.949 -5.592 1.00 0.46 O ATOM 2145 CB GLN A 155 -16.058 -9.924 -3.704 1.00 0.43 C ATOM 2146 CG GLN A 155 -14.701 -10.613 -3.840 1.00 0.62 C ATOM 2147 CD GLN A 155 -14.318 -11.263 -2.509 1.00 0.37 C ATOM 2148 OE1 GLN A 155 -14.670 -12.397 -2.248 1.00 0.81 O ATOM 2149 NE2 GLN A 155 -13.605 -10.588 -1.651 1.00 0.36 N ATOM 0 H GLN A 155 -15.459 -9.329 -6.046 1.00 0.38 H new ATOM 0 HA GLN A 155 -17.079 -11.392 -4.911 1.00 0.29 H new ATOM 0 HB2 GLN A 155 -15.926 -8.842 -3.674 1.00 0.43 H new ATOM 0 HB3 GLN A 155 -16.531 -10.213 -2.765 1.00 0.43 H new ATOM 0 HG2 GLN A 155 -14.742 -11.367 -4.626 1.00 0.62 H new ATOM 0 HG3 GLN A 155 -13.942 -9.888 -4.134 1.00 0.62 H new ATOM 0 HE21 GLN A 155 -13.310 -9.637 -1.870 1.00 0.36 H new ATOM 0 HE22 GLN A 155 -13.343 -11.011 -0.761 1.00 0.36 H new ATOM 2158 N ASN A 156 -18.947 -9.833 -3.590 1.00 0.30 N ATOM 2159 CA ASN A 156 -20.275 -9.201 -3.363 1.00 0.55 C ATOM 2160 C ASN A 156 -20.073 -7.724 -3.025 1.00 0.67 C ATOM 2161 O ASN A 156 -18.967 -7.277 -2.805 1.00 0.69 O ATOM 2162 CB ASN A 156 -20.980 -9.898 -2.197 1.00 0.67 C ATOM 2163 CG ASN A 156 -21.556 -11.233 -2.671 1.00 0.56 C ATOM 2164 OD1 ASN A 156 -22.692 -11.302 -3.095 1.00 1.05 O ATOM 2165 ND2 ASN A 156 -20.815 -12.306 -2.615 1.00 1.05 N ATOM 0 H ASN A 156 -18.599 -10.401 -2.818 1.00 0.30 H new ATOM 0 HA ASN A 156 -20.885 -9.294 -4.261 1.00 0.55 H new ATOM 0 HB2 ASN A 156 -20.277 -10.063 -1.380 1.00 0.67 H new ATOM 0 HB3 ASN A 156 -21.777 -9.264 -1.809 1.00 0.67 H new ATOM 0 HD21 ASN A 156 -21.190 -13.202 -2.927 1.00 1.05 H new ATOM 0 HD22 ASN A 156 -19.861 -12.249 -2.259 1.00 1.05 H new ATOM 2172 N GLN A 157 -21.130 -6.962 -2.977 1.00 0.89 N ATOM 2173 CA GLN A 157 -20.990 -5.515 -2.645 1.00 1.01 C ATOM 2174 C GLN A 157 -20.331 -5.374 -1.272 1.00 0.98 C ATOM 2175 O GLN A 157 -19.665 -4.399 -0.986 1.00 0.99 O ATOM 2176 CB GLN A 157 -22.374 -4.874 -2.606 1.00 1.28 C ATOM 2177 CG GLN A 157 -22.234 -3.361 -2.439 1.00 1.43 C ATOM 2178 CD GLN A 157 -23.118 -2.648 -3.465 1.00 1.46 C ATOM 2179 OE1 GLN A 157 -23.345 -3.155 -4.546 1.00 0.89 O ATOM 2180 NE2 GLN A 157 -23.632 -1.485 -3.171 1.00 2.36 N ATOM 0 H GLN A 157 -22.084 -7.277 -3.153 1.00 0.89 H new ATOM 0 HA GLN A 157 -20.376 -5.022 -3.399 1.00 1.01 H new ATOM 0 HB2 GLN A 157 -22.916 -5.100 -3.524 1.00 1.28 H new ATOM 0 HB3 GLN A 157 -22.955 -5.289 -1.782 1.00 1.28 H new ATOM 0 HG2 GLN A 157 -22.522 -3.068 -1.429 1.00 1.43 H new ATOM 0 HG3 GLN A 157 -21.193 -3.065 -2.572 1.00 1.43 H new ATOM 0 HE21 GLN A 157 -23.442 -1.058 -2.264 1.00 2.36 H new ATOM 0 HE22 GLN A 157 -24.223 -1.003 -3.848 1.00 2.36 H new ATOM 2189 N TRP A 158 -20.520 -6.341 -0.420 1.00 1.01 N ATOM 2190 CA TRP A 158 -19.917 -6.280 0.943 1.00 1.09 C ATOM 2191 C TRP A 158 -18.390 -6.355 0.835 1.00 0.87 C ATOM 2192 O TRP A 158 -17.683 -5.424 1.169 1.00 0.81 O ATOM 2193 CB TRP A 158 -20.430 -7.464 1.767 1.00 1.26 C ATOM 2194 CG TRP A 158 -20.078 -7.270 3.208 1.00 1.30 C ATOM 2195 CD1 TRP A 158 -18.831 -7.360 3.723 1.00 1.29 C ATOM 2196 CD2 TRP A 158 -20.962 -6.962 4.326 1.00 1.42 C ATOM 2197 NE1 TRP A 158 -18.892 -7.128 5.086 1.00 1.33 N ATOM 2198 CE2 TRP A 158 -20.184 -6.876 5.504 1.00 1.41 C ATOM 2199 CE3 TRP A 158 -22.349 -6.752 4.431 1.00 1.62 C ATOM 2200 CZ2 TRP A 158 -20.760 -6.590 6.743 1.00 1.53 C ATOM 2201 CZ3 TRP A 158 -22.933 -6.464 5.675 1.00 1.79 C ATOM 2202 CH2 TRP A 158 -22.140 -6.382 6.829 1.00 1.72 C ATOM 0 H TRP A 158 -21.071 -7.179 -0.609 1.00 1.01 H new ATOM 0 HA TRP A 158 -20.196 -5.344 1.427 1.00 1.09 H new ATOM 0 HB2 TRP A 158 -21.511 -7.555 1.656 1.00 1.26 H new ATOM 0 HB3 TRP A 158 -19.993 -8.392 1.398 1.00 1.26 H new ATOM 0 HD1 TRP A 158 -17.934 -7.577 3.162 1.00 1.29 H new ATOM 0 HE1 TRP A 158 -18.082 -7.141 5.706 1.00 1.33 H new ATOM 0 HE3 TRP A 158 -22.969 -6.813 3.549 1.00 1.62 H new ATOM 0 HZ2 TRP A 158 -20.144 -6.530 7.628 1.00 1.53 H new ATOM 0 HZ3 TRP A 158 -23.999 -6.305 5.744 1.00 1.79 H new ATOM 0 HH2 TRP A 158 -22.595 -6.158 7.783 1.00 1.72 H new ATOM 2213 N LEU A 159 -17.878 -7.464 0.377 1.00 0.77 N ATOM 2214 CA LEU A 159 -16.400 -7.619 0.252 1.00 0.63 C ATOM 2215 C LEU A 159 -15.834 -6.569 -0.709 1.00 0.39 C ATOM 2216 O LEU A 159 -14.650 -6.294 -0.714 1.00 0.36 O ATOM 2217 CB LEU A 159 -16.079 -9.020 -0.276 1.00 0.61 C ATOM 2218 CG LEU A 159 -16.117 -10.020 0.881 1.00 0.93 C ATOM 2219 CD1 LEU A 159 -16.241 -11.440 0.328 1.00 1.21 C ATOM 2220 CD2 LEU A 159 -14.829 -9.903 1.698 1.00 1.30 C ATOM 0 H LEU A 159 -18.423 -8.274 0.082 1.00 0.77 H new ATOM 0 HA LEU A 159 -15.945 -7.480 1.233 1.00 0.63 H new ATOM 0 HB2 LEU A 159 -16.800 -9.306 -1.042 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -15.095 -9.027 -0.745 1.00 0.61 H new ATOM 0 HG LEU A 159 -16.974 -9.803 1.518 1.00 0.93 H new ATOM 0 HD11 LEU A 159 -16.268 -12.151 1.154 1.00 1.21 H new ATOM 0 HD12 LEU A 159 -17.159 -11.525 -0.254 1.00 1.21 H new ATOM 0 HD13 LEU A 159 -15.385 -11.658 -0.311 1.00 1.21 H new ATOM 0 HD21 LEU A 159 -14.855 -10.615 2.523 1.00 1.30 H new ATOM 0 HD22 LEU A 159 -13.972 -10.119 1.060 1.00 1.30 H new ATOM 0 HD23 LEU A 159 -14.740 -8.892 2.095 1.00 1.30 H new ATOM 2232 N GLN A 160 -16.666 -5.975 -1.522 1.00 0.39 N ATOM 2233 CA GLN A 160 -16.165 -4.945 -2.475 1.00 0.38 C ATOM 2234 C GLN A 160 -15.978 -3.626 -1.730 1.00 0.46 C ATOM 2235 O GLN A 160 -15.057 -2.877 -1.987 1.00 0.47 O ATOM 2236 CB GLN A 160 -17.182 -4.754 -3.602 1.00 0.54 C ATOM 2237 CG GLN A 160 -16.990 -5.849 -4.654 1.00 1.11 C ATOM 2238 CD GLN A 160 -18.123 -5.776 -5.679 1.00 1.91 C ATOM 2239 OE1 GLN A 160 -19.069 -6.537 -5.611 1.00 3.22 O ATOM 2240 NE2 GLN A 160 -18.068 -4.887 -6.632 1.00 1.30 N ATOM 0 H GLN A 160 -17.668 -6.158 -1.567 1.00 0.39 H new ATOM 0 HA GLN A 160 -15.214 -5.267 -2.898 1.00 0.38 H new ATOM 0 HB2 GLN A 160 -18.195 -4.793 -3.202 1.00 0.54 H new ATOM 0 HB3 GLN A 160 -17.056 -3.772 -4.057 1.00 0.54 H new ATOM 0 HG2 GLN A 160 -16.028 -5.726 -5.151 1.00 1.11 H new ATOM 0 HG3 GLN A 160 -16.980 -6.829 -4.177 1.00 1.11 H new ATOM 0 HE21 GLN A 160 -17.274 -4.249 -6.689 1.00 1.30 H new ATOM 0 HE22 GLN A 160 -18.819 -4.830 -7.320 1.00 1.30 H new ATOM 2249 N ASP A 161 -16.845 -3.342 -0.801 1.00 0.63 N ATOM 2250 CA ASP A 161 -16.722 -2.081 -0.028 1.00 0.72 C ATOM 2251 C ASP A 161 -15.583 -2.224 0.982 1.00 0.59 C ATOM 2252 O ASP A 161 -15.014 -1.248 1.430 1.00 0.75 O ATOM 2253 CB ASP A 161 -18.035 -1.809 0.710 1.00 0.91 C ATOM 2254 CG ASP A 161 -18.194 -0.306 0.937 1.00 0.77 C ATOM 2255 OD1 ASP A 161 -17.306 0.282 1.532 1.00 1.27 O ATOM 2256 OD2 ASP A 161 -19.203 0.235 0.510 1.00 0.98 O ATOM 0 H ASP A 161 -17.636 -3.932 -0.544 1.00 0.63 H new ATOM 0 HA ASP A 161 -16.510 -1.251 -0.702 1.00 0.72 H new ATOM 0 HB2 ASP A 161 -18.875 -2.190 0.130 1.00 0.91 H new ATOM 0 HB3 ASP A 161 -18.042 -2.334 1.665 1.00 0.91 H new ATOM 2261 N MET A 162 -15.242 -3.433 1.344 1.00 0.47 N ATOM 2262 CA MET A 162 -14.138 -3.622 2.324 1.00 0.47 C ATOM 2263 C MET A 162 -12.792 -3.570 1.588 1.00 0.34 C ATOM 2264 O MET A 162 -11.795 -3.143 2.128 1.00 0.38 O ATOM 2265 CB MET A 162 -14.337 -4.960 3.084 1.00 0.64 C ATOM 2266 CG MET A 162 -13.707 -6.168 2.357 1.00 0.88 C ATOM 2267 SD MET A 162 -12.355 -6.848 3.355 1.00 1.02 S ATOM 2268 CE MET A 162 -11.143 -5.538 3.058 1.00 0.15 C ATOM 0 H MET A 162 -15.678 -4.291 1.005 1.00 0.47 H new ATOM 0 HA MET A 162 -14.146 -2.821 3.064 1.00 0.47 H new ATOM 0 HB2 MET A 162 -13.901 -4.874 4.079 1.00 0.64 H new ATOM 0 HB3 MET A 162 -15.404 -5.140 3.218 1.00 0.64 H new ATOM 0 HG2 MET A 162 -14.463 -6.934 2.182 1.00 0.88 H new ATOM 0 HG3 MET A 162 -13.332 -5.861 1.381 1.00 0.88 H new ATOM 0 HE1 MET A 162 -10.167 -5.855 3.425 1.00 0.15 H new ATOM 0 HE2 MET A 162 -11.080 -5.336 1.989 1.00 0.15 H new ATOM 0 HE3 MET A 162 -11.451 -4.632 3.581 1.00 0.15 H new ATOM 2278 N THR A 163 -12.758 -3.999 0.354 1.00 0.24 N ATOM 2279 CA THR A 163 -11.478 -3.978 -0.410 1.00 0.27 C ATOM 2280 C THR A 163 -10.843 -2.587 -0.339 1.00 0.26 C ATOM 2281 O THR A 163 -9.752 -2.422 0.160 1.00 0.28 O ATOM 2282 CB THR A 163 -11.751 -4.339 -1.872 1.00 0.33 C ATOM 2283 OG1 THR A 163 -12.353 -5.625 -1.935 1.00 0.32 O ATOM 2284 CG2 THR A 163 -10.432 -4.353 -2.645 1.00 0.53 C ATOM 0 H THR A 163 -13.562 -4.363 -0.157 1.00 0.24 H new ATOM 0 HA THR A 163 -10.792 -4.704 0.027 1.00 0.27 H new ATOM 0 HB THR A 163 -12.422 -3.602 -2.313 1.00 0.33 H new ATOM 0 HG1 THR A 163 -13.285 -5.565 -1.637 1.00 0.32 H new ATOM 0 HG21 THR A 163 -10.624 -4.610 -3.687 1.00 0.53 H new ATOM 0 HG22 THR A 163 -9.970 -3.367 -2.593 1.00 0.53 H new ATOM 0 HG23 THR A 163 -9.761 -5.092 -2.207 1.00 0.53 H new ATOM 2292 N THR A 164 -11.511 -1.587 -0.840 1.00 0.25 N ATOM 2293 CA THR A 164 -10.935 -0.210 -0.806 1.00 0.26 C ATOM 2294 C THR A 164 -10.519 0.153 0.623 1.00 0.25 C ATOM 2295 O THR A 164 -9.460 0.702 0.851 1.00 0.22 O ATOM 2296 CB THR A 164 -11.990 0.788 -1.290 1.00 0.23 C ATOM 2297 OG1 THR A 164 -12.416 0.428 -2.597 1.00 0.88 O ATOM 2298 CG2 THR A 164 -11.393 2.195 -1.313 1.00 1.16 C ATOM 0 H THR A 164 -12.432 -1.661 -1.272 1.00 0.25 H new ATOM 0 HA THR A 164 -10.059 -0.174 -1.454 1.00 0.26 H new ATOM 0 HB THR A 164 -12.844 0.771 -0.613 1.00 0.23 H new ATOM 0 HG1 THR A 164 -13.093 1.065 -2.908 1.00 0.88 H new ATOM 0 HG21 THR A 164 -12.146 2.904 -1.658 1.00 1.16 H new ATOM 0 HG22 THR A 164 -11.069 2.469 -0.309 1.00 1.16 H new ATOM 0 HG23 THR A 164 -10.538 2.216 -1.989 1.00 1.16 H new ATOM 2306 N HIS A 165 -11.351 -0.138 1.580 1.00 0.30 N ATOM 2307 CA HIS A 165 -11.029 0.200 2.997 1.00 0.29 C ATOM 2308 C HIS A 165 -9.687 -0.426 3.413 1.00 0.30 C ATOM 2309 O HIS A 165 -8.687 0.254 3.537 1.00 0.45 O ATOM 2310 CB HIS A 165 -12.156 -0.333 3.893 1.00 0.28 C ATOM 2311 CG HIS A 165 -11.801 -0.151 5.344 1.00 0.40 C ATOM 2312 ND1 HIS A 165 -11.074 -1.098 6.045 1.00 0.92 N ATOM 2313 CD2 HIS A 165 -12.068 0.855 6.238 1.00 0.43 C ATOM 2314 CE1 HIS A 165 -10.928 -0.650 7.303 1.00 0.91 C ATOM 2315 NE2 HIS A 165 -11.516 0.538 7.476 1.00 0.53 N ATOM 0 H HIS A 165 -12.250 -0.600 1.443 1.00 0.30 H new ATOM 0 HA HIS A 165 -10.944 1.282 3.103 1.00 0.29 H new ATOM 0 HB2 HIS A 165 -13.085 0.191 3.671 1.00 0.28 H new ATOM 0 HB3 HIS A 165 -12.328 -1.389 3.683 1.00 0.28 H new ATOM 0 HD2 HIS A 165 -12.622 1.755 6.015 1.00 0.43 H new ATOM 0 HE1 HIS A 165 -10.400 -1.184 8.079 1.00 0.91 H new ATOM 0 HE2 HIS A 165 -11.552 1.093 8.331 1.00 0.53 H new ATOM 2323 N LEU A 166 -9.675 -1.709 3.662 1.00 0.29 N ATOM 2324 CA LEU A 166 -8.423 -2.399 4.110 1.00 0.25 C ATOM 2325 C LEU A 166 -7.206 -1.936 3.299 1.00 0.21 C ATOM 2326 O LEU A 166 -6.140 -1.735 3.849 1.00 0.25 O ATOM 2327 CB LEU A 166 -8.604 -3.913 3.951 1.00 0.26 C ATOM 2328 CG LEU A 166 -7.560 -4.684 4.778 1.00 0.38 C ATOM 2329 CD1 LEU A 166 -6.165 -4.481 4.183 1.00 1.62 C ATOM 2330 CD2 LEU A 166 -7.572 -4.195 6.230 1.00 1.44 C ATOM 0 H LEU A 166 -10.488 -2.318 3.574 1.00 0.29 H new ATOM 0 HA LEU A 166 -8.243 -2.146 5.155 1.00 0.25 H new ATOM 0 HB2 LEU A 166 -9.607 -4.198 4.268 1.00 0.26 H new ATOM 0 HB3 LEU A 166 -8.513 -4.185 2.899 1.00 0.26 H new ATOM 0 HG LEU A 166 -7.811 -5.744 4.754 1.00 0.38 H new ATOM 0 HD11 LEU A 166 -5.433 -5.031 4.775 1.00 1.62 H new ATOM 0 HD12 LEU A 166 -6.150 -4.848 3.157 1.00 1.62 H new ATOM 0 HD13 LEU A 166 -5.916 -3.420 4.193 1.00 1.62 H new ATOM 0 HD21 LEU A 166 -6.830 -4.747 6.806 1.00 1.44 H new ATOM 0 HD22 LEU A 166 -7.335 -3.131 6.258 1.00 1.44 H new ATOM 0 HD23 LEU A 166 -8.560 -4.358 6.661 1.00 1.44 H new ATOM 2342 N ILE A 167 -7.332 -1.775 2.008 1.00 0.13 N ATOM 2343 CA ILE A 167 -6.144 -1.338 1.218 1.00 0.11 C ATOM 2344 C ILE A 167 -5.638 -0.010 1.777 1.00 0.12 C ATOM 2345 O ILE A 167 -4.462 0.164 2.019 1.00 0.16 O ATOM 2346 CB ILE A 167 -6.503 -1.163 -0.261 1.00 0.12 C ATOM 2347 CG1 ILE A 167 -6.958 -2.504 -0.837 1.00 0.12 C ATOM 2348 CG2 ILE A 167 -5.264 -0.679 -1.028 1.00 0.21 C ATOM 2349 CD1 ILE A 167 -7.590 -2.284 -2.213 1.00 0.12 C ATOM 0 H ILE A 167 -8.189 -1.924 1.475 1.00 0.13 H new ATOM 0 HA ILE A 167 -5.371 -2.102 1.295 1.00 0.11 H new ATOM 0 HB ILE A 167 -7.306 -0.433 -0.357 1.00 0.12 H new ATOM 0 HG12 ILE A 167 -6.109 -3.182 -0.920 1.00 0.12 H new ATOM 0 HG13 ILE A 167 -7.677 -2.974 -0.166 1.00 0.12 H new ATOM 0 HG21 ILE A 167 -5.514 -0.553 -2.081 1.00 0.21 H new ATOM 0 HG22 ILE A 167 -4.931 0.274 -0.617 1.00 0.21 H new ATOM 0 HG23 ILE A 167 -4.465 -1.414 -0.930 1.00 0.21 H new ATOM 0 HD11 ILE A 167 -7.914 -3.241 -2.622 1.00 0.12 H new ATOM 0 HD12 ILE A 167 -8.450 -1.621 -2.117 1.00 0.12 H new ATOM 0 HD13 ILE A 167 -6.857 -1.833 -2.882 1.00 0.12 H new ATOM 2361 N LEU A 168 -6.519 0.927 1.989 1.00 0.11 N ATOM 2362 CA LEU A 168 -6.086 2.240 2.542 1.00 0.15 C ATOM 2363 C LEU A 168 -5.538 2.032 3.956 1.00 0.23 C ATOM 2364 O LEU A 168 -4.751 2.813 4.449 1.00 0.33 O ATOM 2365 CB LEU A 168 -7.280 3.198 2.594 1.00 0.12 C ATOM 2366 CG LEU A 168 -7.974 3.242 1.231 1.00 0.13 C ATOM 2367 CD1 LEU A 168 -9.480 3.412 1.433 1.00 0.50 C ATOM 2368 CD2 LEU A 168 -7.432 4.423 0.422 1.00 0.22 C ATOM 0 H LEU A 168 -7.518 0.841 1.804 1.00 0.11 H new ATOM 0 HA LEU A 168 -5.312 2.666 1.904 1.00 0.15 H new ATOM 0 HB2 LEU A 168 -7.984 2.873 3.360 1.00 0.12 H new ATOM 0 HB3 LEU A 168 -6.944 4.197 2.873 1.00 0.12 H new ATOM 0 HG LEU A 168 -7.781 2.314 0.694 1.00 0.13 H new ATOM 0 HD11 LEU A 168 -9.976 3.444 0.463 1.00 0.50 H new ATOM 0 HD12 LEU A 168 -9.867 2.573 2.011 1.00 0.50 H new ATOM 0 HD13 LEU A 168 -9.673 4.341 1.969 1.00 0.50 H new ATOM 0 HD21 LEU A 168 -7.925 4.456 -0.549 1.00 0.22 H new ATOM 0 HD22 LEU A 168 -7.626 5.351 0.959 1.00 0.22 H new ATOM 0 HD23 LEU A 168 -6.358 4.304 0.279 1.00 0.22 H new ATOM 2380 N ARG A 169 -5.956 0.982 4.612 1.00 0.23 N ATOM 2381 CA ARG A 169 -5.466 0.721 5.995 1.00 0.29 C ATOM 2382 C ARG A 169 -4.017 0.235 5.950 1.00 0.27 C ATOM 2383 O ARG A 169 -3.245 0.487 6.855 1.00 0.28 O ATOM 2384 CB ARG A 169 -6.338 -0.349 6.654 1.00 0.32 C ATOM 2385 CG ARG A 169 -6.978 0.222 7.922 1.00 0.70 C ATOM 2386 CD ARG A 169 -6.987 -0.847 9.015 1.00 0.39 C ATOM 2387 NE ARG A 169 -5.918 -0.552 10.010 1.00 1.13 N ATOM 2388 CZ ARG A 169 -6.195 -0.552 11.286 1.00 1.28 C ATOM 2389 NH1 ARG A 169 -6.544 -1.663 11.876 1.00 1.01 N ATOM 2390 NH2 ARG A 169 -6.121 0.557 11.970 1.00 2.27 N ATOM 0 H ARG A 169 -6.616 0.294 4.249 1.00 0.23 H new ATOM 0 HA ARG A 169 -5.519 1.644 6.572 1.00 0.29 H new ATOM 0 HB2 ARG A 169 -7.112 -0.680 5.961 1.00 0.32 H new ATOM 0 HB3 ARG A 169 -5.735 -1.223 6.900 1.00 0.32 H new ATOM 0 HG2 ARG A 169 -6.423 1.097 8.259 1.00 0.70 H new ATOM 0 HG3 ARG A 169 -7.996 0.551 7.712 1.00 0.70 H new ATOM 0 HD2 ARG A 169 -7.959 -0.871 9.507 1.00 0.39 H new ATOM 0 HD3 ARG A 169 -6.828 -1.832 8.576 1.00 0.39 H new ATOM 0 HE ARG A 169 -4.969 -0.350 9.694 1.00 1.13 H new ATOM 0 HH11 ARG A 169 -6.600 -2.529 11.340 1.00 1.01 H new ATOM 0 HH12 ARG A 169 -6.761 -1.665 12.873 1.00 1.01 H new ATOM 0 HH21 ARG A 169 -5.847 1.424 11.508 1.00 2.27 H new ATOM 0 HH22 ARG A 169 -6.337 0.557 12.967 1.00 2.27 H new ATOM 2404 N SER A 170 -3.631 -0.448 4.905 1.00 0.27 N ATOM 2405 CA SER A 170 -2.233 -0.924 4.822 1.00 0.27 C ATOM 2406 C SER A 170 -1.365 0.254 4.414 1.00 0.27 C ATOM 2407 O SER A 170 -0.344 0.521 4.996 1.00 0.29 O ATOM 2408 CB SER A 170 -2.126 -2.032 3.776 1.00 0.27 C ATOM 2409 OG SER A 170 -1.589 -3.199 4.384 1.00 0.25 O ATOM 0 H SER A 170 -4.225 -0.692 4.113 1.00 0.27 H new ATOM 0 HA SER A 170 -1.908 -1.322 5.783 1.00 0.27 H new ATOM 0 HB2 SER A 170 -3.108 -2.246 3.354 1.00 0.27 H new ATOM 0 HB3 SER A 170 -1.489 -1.711 2.952 1.00 0.27 H new ATOM 0 HG SER A 170 -1.086 -3.713 3.718 1.00 0.25 H new ATOM 2415 N PHE A 171 -1.774 0.981 3.423 1.00 0.26 N ATOM 2416 CA PHE A 171 -0.969 2.148 2.995 1.00 0.26 C ATOM 2417 C PHE A 171 -0.688 3.049 4.199 1.00 0.29 C ATOM 2418 O PHE A 171 0.435 3.419 4.450 1.00 0.27 O ATOM 2419 CB PHE A 171 -1.724 2.912 1.915 1.00 0.26 C ATOM 2420 CG PHE A 171 -1.360 2.304 0.590 1.00 0.28 C ATOM 2421 CD1 PHE A 171 -1.680 0.967 0.329 1.00 0.18 C ATOM 2422 CD2 PHE A 171 -0.679 3.062 -0.362 1.00 0.68 C ATOM 2423 CE1 PHE A 171 -1.314 0.388 -0.890 1.00 0.14 C ATOM 2424 CE2 PHE A 171 -0.317 2.487 -1.583 1.00 0.72 C ATOM 2425 CZ PHE A 171 -0.632 1.150 -1.848 1.00 0.34 C ATOM 0 H PHE A 171 -2.629 0.819 2.891 1.00 0.26 H new ATOM 0 HA PHE A 171 -0.016 1.811 2.586 1.00 0.26 H new ATOM 0 HB2 PHE A 171 -2.799 2.850 2.082 1.00 0.26 H new ATOM 0 HB3 PHE A 171 -1.459 3.969 1.937 1.00 0.26 H new ATOM 0 HD1 PHE A 171 -2.209 0.383 1.068 1.00 0.18 H new ATOM 0 HD2 PHE A 171 -0.432 4.093 -0.156 1.00 0.68 H new ATOM 0 HE1 PHE A 171 -1.557 -0.645 -1.093 1.00 0.14 H new ATOM 0 HE2 PHE A 171 0.206 3.075 -2.322 1.00 0.72 H new ATOM 0 HZ PHE A 171 -0.350 0.705 -2.791 1.00 0.34 H new ATOM 2435 N LYS A 172 -1.688 3.385 4.959 1.00 0.36 N ATOM 2436 CA LYS A 172 -1.446 4.246 6.149 1.00 0.40 C ATOM 2437 C LYS A 172 -0.411 3.578 7.065 1.00 0.35 C ATOM 2438 O LYS A 172 0.669 4.094 7.280 1.00 0.33 O ATOM 2439 CB LYS A 172 -2.756 4.444 6.914 1.00 0.46 C ATOM 2440 CG LYS A 172 -2.814 5.870 7.463 1.00 0.91 C ATOM 2441 CD LYS A 172 -3.613 6.759 6.507 1.00 0.47 C ATOM 2442 CE LYS A 172 -3.255 8.225 6.760 1.00 1.54 C ATOM 2443 NZ LYS A 172 -4.227 9.106 6.051 1.00 1.74 N ATOM 0 H LYS A 172 -2.657 3.104 4.811 1.00 0.36 H new ATOM 0 HA LYS A 172 -1.068 5.215 5.823 1.00 0.40 H new ATOM 0 HB2 LYS A 172 -3.605 4.261 6.256 1.00 0.46 H new ATOM 0 HB3 LYS A 172 -2.825 3.725 7.731 1.00 0.46 H new ATOM 0 HG2 LYS A 172 -3.278 5.872 8.449 1.00 0.91 H new ATOM 0 HG3 LYS A 172 -1.805 6.265 7.584 1.00 0.91 H new ATOM 0 HD2 LYS A 172 -3.392 6.492 5.474 1.00 0.47 H new ATOM 0 HD3 LYS A 172 -4.682 6.603 6.655 1.00 0.47 H new ATOM 0 HE2 LYS A 172 -3.272 8.435 7.830 1.00 1.54 H new ATOM 0 HE3 LYS A 172 -2.243 8.428 6.411 1.00 1.54 H new ATOM 0 HZ1 LYS A 172 -3.983 10.102 6.224 1.00 1.74 H new ATOM 0 HZ2 LYS A 172 -4.190 8.912 5.030 1.00 1.74 H new ATOM 0 HZ3 LYS A 172 -5.187 8.919 6.404 1.00 1.74 H new ATOM 2457 N GLU A 173 -0.734 2.436 7.612 1.00 0.33 N ATOM 2458 CA GLU A 173 0.222 1.737 8.524 1.00 0.27 C ATOM 2459 C GLU A 173 1.416 1.192 7.731 1.00 0.24 C ATOM 2460 O GLU A 173 2.521 1.672 7.862 1.00 0.25 O ATOM 2461 CB GLU A 173 -0.498 0.577 9.216 1.00 0.27 C ATOM 2462 CG GLU A 173 -0.712 0.917 10.693 1.00 0.37 C ATOM 2463 CD GLU A 173 -2.057 1.625 10.866 1.00 2.08 C ATOM 2464 OE1 GLU A 173 -3.072 0.993 10.621 1.00 2.72 O ATOM 2465 OE2 GLU A 173 -2.050 2.785 11.242 1.00 3.02 O ATOM 0 H GLU A 173 -1.621 1.955 7.467 1.00 0.33 H new ATOM 0 HA GLU A 173 0.586 2.447 9.266 1.00 0.27 H new ATOM 0 HB2 GLU A 173 -1.457 0.390 8.732 1.00 0.27 H new ATOM 0 HB3 GLU A 173 0.089 -0.337 9.124 1.00 0.27 H new ATOM 0 HG2 GLU A 173 -0.688 0.007 11.293 1.00 0.37 H new ATOM 0 HG3 GLU A 173 0.096 1.556 11.050 1.00 0.37 H new ATOM 2472 N PHE A 174 1.193 0.181 6.928 1.00 0.21 N ATOM 2473 CA PHE A 174 2.291 -0.446 6.110 1.00 0.18 C ATOM 2474 C PHE A 174 3.323 0.595 5.636 1.00 0.21 C ATOM 2475 O PHE A 174 4.487 0.515 5.981 1.00 0.19 O ATOM 2476 CB PHE A 174 1.668 -1.131 4.890 1.00 0.16 C ATOM 2477 CG PHE A 174 2.595 -2.195 4.368 1.00 0.19 C ATOM 2478 CD1 PHE A 174 3.695 -1.835 3.587 1.00 0.96 C ATOM 2479 CD2 PHE A 174 2.351 -3.542 4.664 1.00 0.62 C ATOM 2480 CE1 PHE A 174 4.561 -2.822 3.100 1.00 0.99 C ATOM 2481 CE2 PHE A 174 3.216 -4.530 4.177 1.00 0.60 C ATOM 2482 CZ PHE A 174 4.322 -4.170 3.396 1.00 0.25 C ATOM 0 H PHE A 174 0.277 -0.249 6.799 1.00 0.21 H new ATOM 0 HA PHE A 174 2.813 -1.168 6.738 1.00 0.18 H new ATOM 0 HB2 PHE A 174 0.709 -1.573 5.161 1.00 0.16 H new ATOM 0 HB3 PHE A 174 1.470 -0.395 4.111 1.00 0.16 H new ATOM 0 HD1 PHE A 174 3.878 -0.795 3.358 1.00 0.96 H new ATOM 0 HD2 PHE A 174 1.498 -3.818 5.266 1.00 0.62 H new ATOM 0 HE1 PHE A 174 5.412 -2.544 2.497 1.00 0.99 H new ATOM 0 HE2 PHE A 174 3.030 -5.570 4.404 1.00 0.60 H new ATOM 0 HZ PHE A 174 4.990 -4.932 3.022 1.00 0.25 H new ATOM 2492 N LEU A 175 2.923 1.568 4.853 1.00 0.25 N ATOM 2493 CA LEU A 175 3.921 2.578 4.385 1.00 0.29 C ATOM 2494 C LEU A 175 4.529 3.291 5.599 1.00 0.28 C ATOM 2495 O LEU A 175 5.711 3.563 5.641 1.00 0.28 O ATOM 2496 CB LEU A 175 3.254 3.619 3.479 1.00 0.36 C ATOM 2497 CG LEU A 175 2.944 3.019 2.103 1.00 0.48 C ATOM 2498 CD1 LEU A 175 1.713 3.704 1.517 1.00 0.43 C ATOM 2499 CD2 LEU A 175 4.120 3.262 1.157 1.00 0.51 C ATOM 0 H LEU A 175 1.967 1.705 4.523 1.00 0.25 H new ATOM 0 HA LEU A 175 4.698 2.063 3.820 1.00 0.29 H new ATOM 0 HB2 LEU A 175 2.334 3.975 3.942 1.00 0.36 H new ATOM 0 HB3 LEU A 175 3.909 4.483 3.366 1.00 0.36 H new ATOM 0 HG LEU A 175 2.768 1.949 2.216 1.00 0.48 H new ATOM 0 HD11 LEU A 175 1.491 3.278 0.538 1.00 0.43 H new ATOM 0 HD12 LEU A 175 0.862 3.552 2.180 1.00 0.43 H new ATOM 0 HD13 LEU A 175 1.906 4.772 1.413 1.00 0.43 H new ATOM 0 HD21 LEU A 175 3.896 2.834 0.180 1.00 0.51 H new ATOM 0 HD22 LEU A 175 4.288 4.334 1.054 1.00 0.51 H new ATOM 0 HD23 LEU A 175 5.016 2.792 1.562 1.00 0.51 H new ATOM 2511 N GLN A 176 3.727 3.603 6.588 1.00 0.28 N ATOM 2512 CA GLN A 176 4.262 4.305 7.797 1.00 0.27 C ATOM 2513 C GLN A 176 5.516 3.587 8.311 1.00 0.30 C ATOM 2514 O GLN A 176 6.563 4.185 8.472 1.00 0.45 O ATOM 2515 CB GLN A 176 3.195 4.318 8.896 1.00 0.27 C ATOM 2516 CG GLN A 176 2.709 5.751 9.122 1.00 0.27 C ATOM 2517 CD GLN A 176 2.025 5.851 10.486 1.00 0.16 C ATOM 2518 OE1 GLN A 176 1.480 4.881 10.977 1.00 1.20 O ATOM 2519 NE2 GLN A 176 2.029 6.989 11.124 1.00 0.82 N ATOM 0 H GLN A 176 2.727 3.402 6.611 1.00 0.28 H new ATOM 0 HA GLN A 176 4.522 5.328 7.527 1.00 0.27 H new ATOM 0 HB2 GLN A 176 2.358 3.680 8.612 1.00 0.27 H new ATOM 0 HB3 GLN A 176 3.606 3.912 9.821 1.00 0.27 H new ATOM 0 HG2 GLN A 176 3.550 6.443 9.074 1.00 0.27 H new ATOM 0 HG3 GLN A 176 2.014 6.039 8.333 1.00 0.27 H new ATOM 0 HE21 GLN A 176 2.486 7.803 10.713 1.00 0.82 H new ATOM 0 HE22 GLN A 176 1.575 7.065 12.034 1.00 0.82 H new ATOM 2528 N SER A 177 5.424 2.310 8.568 1.00 0.19 N ATOM 2529 CA SER A 177 6.614 1.565 9.062 1.00 0.23 C ATOM 2530 C SER A 177 7.729 1.670 8.023 1.00 0.20 C ATOM 2531 O SER A 177 8.896 1.710 8.354 1.00 0.25 O ATOM 2532 CB SER A 177 6.249 0.097 9.279 1.00 0.26 C ATOM 2533 OG SER A 177 5.427 -0.347 8.209 1.00 1.88 O ATOM 0 H SER A 177 4.577 1.753 8.457 1.00 0.19 H new ATOM 0 HA SER A 177 6.949 1.990 10.008 1.00 0.23 H new ATOM 0 HB2 SER A 177 7.153 -0.510 9.334 1.00 0.26 H new ATOM 0 HB3 SER A 177 5.726 -0.023 10.228 1.00 0.26 H new ATOM 0 HG SER A 177 5.470 0.299 7.474 1.00 1.88 H new ATOM 2539 N SER A 178 7.377 1.724 6.767 1.00 0.15 N ATOM 2540 CA SER A 178 8.419 1.837 5.707 1.00 0.15 C ATOM 2541 C SER A 178 9.228 3.117 5.927 1.00 0.20 C ATOM 2542 O SER A 178 10.416 3.164 5.681 1.00 0.26 O ATOM 2543 CB SER A 178 7.745 1.891 4.335 1.00 0.11 C ATOM 2544 OG SER A 178 8.707 1.605 3.328 1.00 1.03 O ATOM 0 H SER A 178 6.415 1.695 6.430 1.00 0.15 H new ATOM 0 HA SER A 178 9.082 0.973 5.753 1.00 0.15 H new ATOM 0 HB2 SER A 178 6.929 1.170 4.289 1.00 0.11 H new ATOM 0 HB3 SER A 178 7.310 2.877 4.169 1.00 0.11 H new ATOM 0 HG SER A 178 8.303 1.731 2.444 1.00 1.03 H new ATOM 2550 N LEU A 179 8.589 4.158 6.389 1.00 0.19 N ATOM 2551 CA LEU A 179 9.314 5.439 6.626 1.00 0.24 C ATOM 2552 C LEU A 179 10.260 5.283 7.821 1.00 0.34 C ATOM 2553 O LEU A 179 11.419 5.639 7.757 1.00 0.42 O ATOM 2554 CB LEU A 179 8.302 6.548 6.923 1.00 0.23 C ATOM 2555 CG LEU A 179 7.655 7.013 5.618 1.00 0.36 C ATOM 2556 CD1 LEU A 179 6.336 6.267 5.405 1.00 0.70 C ATOM 2557 CD2 LEU A 179 7.382 8.517 5.694 1.00 0.28 C ATOM 0 H LEU A 179 7.594 4.176 6.613 1.00 0.19 H new ATOM 0 HA LEU A 179 9.891 5.697 5.738 1.00 0.24 H new ATOM 0 HB2 LEU A 179 7.538 6.183 7.610 1.00 0.23 H new ATOM 0 HB3 LEU A 179 8.798 7.385 7.414 1.00 0.23 H new ATOM 0 HG LEU A 179 8.327 6.805 4.786 1.00 0.36 H new ATOM 0 HD11 LEU A 179 5.876 6.600 4.474 1.00 0.70 H new ATOM 0 HD12 LEU A 179 6.529 5.195 5.352 1.00 0.70 H new ATOM 0 HD13 LEU A 179 5.663 6.474 6.237 1.00 0.70 H new ATOM 0 HD21 LEU A 179 6.921 8.850 4.764 1.00 0.28 H new ATOM 0 HD22 LEU A 179 6.710 8.723 6.527 1.00 0.28 H new ATOM 0 HD23 LEU A 179 8.321 9.050 5.845 1.00 0.28 H new ATOM 2569 N ARG A 180 9.774 4.758 8.914 1.00 0.34 N ATOM 2570 CA ARG A 180 10.647 4.589 10.113 1.00 0.44 C ATOM 2571 C ARG A 180 11.671 3.472 9.869 1.00 0.40 C ATOM 2572 O ARG A 180 12.617 3.316 10.617 1.00 0.46 O ATOM 2573 CB ARG A 180 9.786 4.235 11.328 1.00 0.46 C ATOM 2574 CG ARG A 180 9.967 5.301 12.413 1.00 0.94 C ATOM 2575 CD ARG A 180 8.597 5.734 12.939 1.00 0.90 C ATOM 2576 NE ARG A 180 8.576 7.214 13.100 1.00 2.33 N ATOM 2577 CZ ARG A 180 7.609 7.913 12.574 1.00 3.47 C ATOM 2578 NH1 ARG A 180 7.567 8.102 11.284 1.00 4.70 N ATOM 2579 NH2 ARG A 180 6.684 8.423 13.339 1.00 3.81 N ATOM 0 H ARG A 180 8.812 4.439 9.029 1.00 0.34 H new ATOM 0 HA ARG A 180 11.177 5.523 10.299 1.00 0.44 H new ATOM 0 HB2 ARG A 180 8.737 4.172 11.037 1.00 0.46 H new ATOM 0 HB3 ARG A 180 10.069 3.256 11.715 1.00 0.46 H new ATOM 0 HG2 ARG A 180 10.573 4.906 13.228 1.00 0.94 H new ATOM 0 HG3 ARG A 180 10.501 6.161 12.007 1.00 0.94 H new ATOM 0 HD2 ARG A 180 7.814 5.421 12.248 1.00 0.90 H new ATOM 0 HD3 ARG A 180 8.392 5.250 13.894 1.00 0.90 H new ATOM 0 HE ARG A 180 9.318 7.681 13.622 1.00 2.33 H new ATOM 0 HH11 ARG A 180 8.291 7.703 10.686 1.00 4.70 H new ATOM 0 HH12 ARG A 180 6.810 8.649 10.873 1.00 4.70 H new ATOM 0 HH21 ARG A 180 6.717 8.275 14.348 1.00 3.81 H new ATOM 0 HH22 ARG A 180 5.927 8.970 12.929 1.00 3.81 H new ATOM 2593 N ALA A 181 11.501 2.696 8.831 1.00 0.39 N ATOM 2594 CA ALA A 181 12.474 1.603 8.557 1.00 0.41 C ATOM 2595 C ALA A 181 13.627 2.164 7.731 1.00 0.49 C ATOM 2596 O ALA A 181 14.779 1.855 7.959 1.00 0.49 O ATOM 2597 CB ALA A 181 11.781 0.483 7.776 1.00 0.37 C ATOM 0 H ALA A 181 10.733 2.773 8.164 1.00 0.39 H new ATOM 0 HA ALA A 181 12.853 1.202 9.497 1.00 0.41 H new ATOM 0 HB1 ALA A 181 12.494 -0.316 7.576 1.00 0.37 H new ATOM 0 HB2 ALA A 181 10.951 0.090 8.363 1.00 0.37 H new ATOM 0 HB3 ALA A 181 11.404 0.877 6.832 1.00 0.37 H new ATOM 2603 N LEU A 182 13.325 2.997 6.776 1.00 0.58 N ATOM 2604 CA LEU A 182 14.403 3.588 5.943 1.00 0.67 C ATOM 2605 C LEU A 182 15.136 4.652 6.761 1.00 0.65 C ATOM 2606 O LEU A 182 16.280 4.967 6.506 1.00 0.65 O ATOM 2607 CB LEU A 182 13.797 4.224 4.691 1.00 0.84 C ATOM 2608 CG LEU A 182 13.998 3.286 3.499 1.00 1.06 C ATOM 2609 CD1 LEU A 182 12.641 2.770 3.020 1.00 1.05 C ATOM 2610 CD2 LEU A 182 14.685 4.046 2.362 1.00 1.30 C ATOM 0 H LEU A 182 12.378 3.293 6.538 1.00 0.58 H new ATOM 0 HA LEU A 182 15.104 2.810 5.641 1.00 0.67 H new ATOM 0 HB2 LEU A 182 12.735 4.414 4.844 1.00 0.84 H new ATOM 0 HB3 LEU A 182 14.268 5.187 4.494 1.00 0.84 H new ATOM 0 HG LEU A 182 14.620 2.444 3.801 1.00 1.06 H new ATOM 0 HD11 LEU A 182 12.785 2.102 2.171 1.00 1.05 H new ATOM 0 HD12 LEU A 182 12.152 2.228 3.829 1.00 1.05 H new ATOM 0 HD13 LEU A 182 12.018 3.612 2.718 1.00 1.05 H new ATOM 0 HD21 LEU A 182 14.828 3.378 1.513 1.00 1.30 H new ATOM 0 HD22 LEU A 182 14.063 4.889 2.060 1.00 1.30 H new ATOM 0 HD23 LEU A 182 15.653 4.413 2.703 1.00 1.30 H new ATOM 2622 N ARG A 183 14.482 5.203 7.749 1.00 0.64 N ATOM 2623 CA ARG A 183 15.138 6.240 8.591 1.00 0.62 C ATOM 2624 C ARG A 183 15.981 5.556 9.668 1.00 0.58 C ATOM 2625 O ARG A 183 17.027 6.042 10.053 1.00 0.67 O ATOM 2626 CB ARG A 183 14.067 7.105 9.257 1.00 0.63 C ATOM 2627 CG ARG A 183 14.467 8.579 9.158 1.00 0.74 C ATOM 2628 CD ARG A 183 13.607 9.408 10.114 1.00 0.21 C ATOM 2629 NE ARG A 183 12.236 9.551 9.551 1.00 1.87 N ATOM 2630 CZ ARG A 183 11.794 10.727 9.195 1.00 2.52 C ATOM 2631 NH1 ARG A 183 12.609 11.597 8.665 1.00 2.71 N ATOM 2632 NH2 ARG A 183 10.538 11.033 9.371 1.00 3.53 N ATOM 0 H ARG A 183 13.521 4.978 8.008 1.00 0.64 H new ATOM 0 HA ARG A 183 15.777 6.867 7.969 1.00 0.62 H new ATOM 0 HB2 ARG A 183 13.103 6.945 8.774 1.00 0.63 H new ATOM 0 HB3 ARG A 183 13.951 6.818 10.302 1.00 0.63 H new ATOM 0 HG2 ARG A 183 15.522 8.698 9.406 1.00 0.74 H new ATOM 0 HG3 ARG A 183 14.338 8.934 8.135 1.00 0.74 H new ATOM 0 HD2 ARG A 183 13.562 8.926 11.091 1.00 0.21 H new ATOM 0 HD3 ARG A 183 14.055 10.391 10.264 1.00 0.21 H new ATOM 0 HE ARG A 183 11.641 8.729 9.443 1.00 1.87 H new ATOM 0 HH11 ARG A 183 13.591 11.359 8.529 1.00 2.71 H new ATOM 0 HH12 ARG A 183 12.264 12.516 8.387 1.00 2.71 H new ATOM 0 HH21 ARG A 183 9.901 10.354 9.787 1.00 3.53 H new ATOM 0 HH22 ARG A 183 10.193 11.952 9.093 1.00 3.53 H new ATOM 2646 N GLN A 184 15.540 4.427 10.154 1.00 0.44 N ATOM 2647 CA GLN A 184 16.322 3.713 11.201 1.00 0.41 C ATOM 2648 C GLN A 184 17.487 2.975 10.543 1.00 0.42 C ATOM 2649 O GLN A 184 18.498 2.711 11.162 1.00 0.43 O ATOM 2650 CB GLN A 184 15.419 2.703 11.913 1.00 0.31 C ATOM 2651 CG GLN A 184 14.574 3.424 12.966 1.00 0.43 C ATOM 2652 CD GLN A 184 15.390 3.592 14.250 1.00 0.58 C ATOM 2653 OE1 GLN A 184 16.447 4.189 14.239 1.00 1.55 O ATOM 2654 NE2 GLN A 184 14.938 3.085 15.365 1.00 0.42 N ATOM 0 H GLN A 184 14.673 3.970 9.871 1.00 0.44 H new ATOM 0 HA GLN A 184 16.704 4.432 11.926 1.00 0.41 H new ATOM 0 HB2 GLN A 184 14.772 2.206 11.191 1.00 0.31 H new ATOM 0 HB3 GLN A 184 16.024 1.929 12.385 1.00 0.31 H new ATOM 0 HG2 GLN A 184 14.261 4.399 12.591 1.00 0.43 H new ATOM 0 HG3 GLN A 184 13.667 2.855 13.171 1.00 0.43 H new ATOM 0 HE21 GLN A 184 14.050 2.583 15.374 1.00 0.42 H new ATOM 0 HE22 GLN A 184 15.473 3.191 16.227 1.00 0.42 H new ATOM 2663 N MET A 185 17.352 2.640 9.288 1.00 0.46 N ATOM 2664 CA MET A 185 18.452 1.919 8.589 1.00 0.52 C ATOM 2665 C MET A 185 19.738 2.745 8.678 1.00 0.60 C ATOM 2666 O MET A 185 20.771 2.244 8.266 1.00 1.85 O ATOM 2667 CB MET A 185 18.075 1.713 7.119 1.00 0.54 C ATOM 2668 CG MET A 185 17.235 0.441 6.981 1.00 0.59 C ATOM 2669 SD MET A 185 16.378 0.454 5.387 1.00 0.56 S ATOM 2670 CE MET A 185 15.102 -0.762 5.796 1.00 0.65 C ATOM 2671 OXT MET A 185 19.667 3.865 9.158 1.00 0.81 O ATOM 0 H MET A 185 16.529 2.834 8.718 1.00 0.46 H new ATOM 0 HA MET A 185 18.610 0.949 9.061 1.00 0.52 H new ATOM 0 HB2 MET A 185 17.515 2.573 6.752 1.00 0.54 H new ATOM 0 HB3 MET A 185 18.975 1.635 6.509 1.00 0.54 H new ATOM 0 HG2 MET A 185 17.874 -0.439 7.055 1.00 0.59 H new ATOM 0 HG3 MET A 185 16.512 0.380 7.794 1.00 0.59 H new ATOM 0 HE1 MET A 185 15.211 -1.634 5.152 1.00 0.65 H new ATOM 0 HE2 MET A 185 15.208 -1.065 6.838 1.00 0.65 H new ATOM 0 HE3 MET A 185 14.117 -0.320 5.645 1.00 0.65 H new