USER MOD reduce.3.24.130724 H: found=0, std=0, add=1175, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1174 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 74 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 148 SER OG : rot -42:sc= 0.938 USER MOD Set 2.1: A 52 THR OG1 : rot -132:sc= 0.184 USER MOD Set 2.2: A 150 ASN : amide:sc= -0.268 K(o=-0.085,f=-4!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.123 (180deg=-0.627) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 3 THR OG1 : rot -154:sc= -1.02 USER MOD Single : A 10 MET CE :methyl -134:sc= 0 (180deg=-1.72!) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0143) USER MOD Single : A 17 GLN : amide:sc= 0.173 K(o=0.17,f=-0.84) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.1!) USER MOD Single : A 32 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 34 MET CE :methyl 159:sc= -0.0843 (180deg=-0.602) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 46 THR OG1 : rot -63:sc= 0.246 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.386 K(o=-0.39,f=-6.1!) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.0744 (180deg=-0.554) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= -0.763 (180deg=-0.843) USER MOD Single : A 76 MET CE :methyl 160:sc=-0.00363 (180deg=-0.36) USER MOD Single : A 78 HIS : no HE2:sc= 0.0202 X(o=0.02,f=-0.14) USER MOD Single : A 80 ASN :FLIP amide:sc= -2.12 F(o=-5!,f=-2.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0177 K(o=-0.018,f=-0.68) USER MOD Single : A 94 ASN : amide:sc= -0.0756 K(o=-0.076,f=-4.9!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.845 USER MOD Single : A 104 SER OG : rot 153:sc= 0.519 USER MOD Single : A 107 THR OG1 : rot -16:sc= 0.672 USER MOD Single : A 108 SER OG : rot -81:sc= 1.06 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.954 F(o=-2.8!,f=-0.95) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN :FLIP amide:sc= 0.142 F(o=-5.3!,f=0.14) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.424 F(o=-1.8!,f=-0.42) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.249 K(o=-0.25,f=-3.9!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 128 GLN : amide:sc= -0.976 K(o=-0.98,f=-5.4!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 ASN :FLIP amide:sc= -0.0401 F(o=-1.4!,f=-0.04) USER MOD Single : A 134 LYS NZ :NH3+ 165:sc= -0.0298 (180deg=-0.28) USER MOD Single : A 137 TYR OH : rot 30:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ -165:sc= -0.0369 (180deg=-0.259) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc=-0.00276 K(o=-0.0028,f=-1.5) USER MOD Single : A 152 SER OG : rot 40:sc= 0.0616 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.956 2.664 12.758 1.00 0.00 N ATOM 2 CA MET A 1 -25.279 1.386 12.418 0.07 0.00 C ATOM 3 C MET A 1 -24.930 1.335 10.934 0.86 0.00 C ATOM 4 O MET A 1 -23.774 1.125 10.565 0.10 0.00 O ATOM 5 CB MET A 1 -26.178 0.201 12.783 0.06 0.00 C ATOM 6 CG MET A 1 -25.572 -1.153 12.449 0.41 0.00 C ATOM 7 SD MET A 1 -26.593 -2.531 13.010 0.23 0.00 S ATOM 8 CE MET A 1 -28.119 -2.207 12.129 0.35 0.00 C ATOM 0 H1 MET A 1 -26.184 2.677 13.773 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.326 3.461 12.535 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.833 2.750 12.205 1.00 0.00 H new ATOM 0 HA MET A 1 -24.355 1.326 12.992 0.07 0.00 H new ATOM 0 HB2 MET A 1 -26.397 0.238 13.850 0.06 0.00 H new ATOM 0 HB3 MET A 1 -27.128 0.303 12.259 0.06 0.00 H new ATOM 0 HG2 MET A 1 -25.430 -1.227 11.371 0.41 0.00 H new ATOM 0 HG3 MET A 1 -24.585 -1.228 12.906 0.41 0.00 H new ATOM 0 HE1 MET A 1 -28.727 -3.111 12.110 0.35 0.00 H new ATOM 0 HE2 MET A 1 -28.668 -1.411 12.633 0.35 0.00 H new ATOM 0 HE3 MET A 1 -27.892 -1.901 11.108 0.35 0.00 H new ATOM 20 N SER A 2 -25.938 1.529 10.090 0.12 0.00 N ATOM 21 CA SER A 2 -25.743 1.508 8.645 0.08 0.00 C ATOM 22 C SER A 2 -25.178 2.836 8.151 0.28 0.00 C ATOM 23 O SER A 2 -25.304 3.865 8.816 0.19 0.00 O ATOM 24 CB SER A 2 -27.064 1.206 7.937 0.24 0.00 C ATOM 25 OG SER A 2 -26.900 1.197 6.530 1.00 0.00 O ATOM 0 H SER A 2 -26.900 1.703 10.382 0.12 0.00 H new ATOM 0 HA SER A 2 -25.025 0.722 8.412 0.08 0.00 H new ATOM 0 HB2 SER A 2 -27.444 0.240 8.268 0.24 0.00 H new ATOM 0 HB3 SER A 2 -27.808 1.953 8.214 0.24 0.00 H new ATOM 0 HG SER A 2 -27.759 1.000 6.102 1.00 0.00 H new ATOM 31 N THR A 3 -24.556 2.800 6.979 0.17 0.00 N ATOM 32 CA THR A 3 -23.960 3.990 6.386 0.81 0.00 C ATOM 33 C THR A 3 -23.768 3.786 4.879 0.06 0.00 C ATOM 34 O THR A 3 -23.846 2.659 4.392 0.14 0.00 O ATOM 35 CB THR A 3 -22.611 4.321 7.071 0.14 0.00 C ATOM 36 OG1 THR A 3 -22.476 5.737 7.244 0.26 0.00 O ATOM 37 CG2 THR A 3 -21.428 3.794 6.272 0.46 0.00 C ATOM 0 H THR A 3 -24.451 1.955 6.418 0.17 0.00 H new ATOM 0 HA THR A 3 -24.633 4.834 6.539 0.81 0.00 H new ATOM 0 HB THR A 3 -22.612 3.829 8.044 0.14 0.00 H new ATOM 0 HG1 THR A 3 -21.526 5.973 7.283 0.26 0.00 H new ATOM 0 HG21 THR A 3 -20.500 4.047 6.786 0.46 0.00 H new ATOM 0 HG22 THR A 3 -21.507 2.711 6.177 0.46 0.00 H new ATOM 0 HG23 THR A 3 -21.428 4.246 5.280 0.46 0.00 H new ATOM 45 N PRO A 4 -23.514 4.868 4.121 1.00 0.00 N ATOM 46 CA PRO A 4 -23.326 4.785 2.679 0.06 0.00 C ATOM 47 C PRO A 4 -21.922 4.327 2.317 1.00 0.00 C ATOM 48 O PRO A 4 -21.715 3.671 1.296 0.12 0.00 O ATOM 49 CB PRO A 4 -23.570 6.214 2.185 0.40 0.00 C ATOM 50 CG PRO A 4 -23.610 7.094 3.400 0.26 0.00 C ATOM 51 CD PRO A 4 -23.359 6.239 4.610 0.23 0.00 C ATOM 0 HA PRO A 4 -23.998 4.056 2.225 0.06 0.00 H new ATOM 0 HB2 PRO A 4 -22.777 6.529 1.506 0.40 0.00 H new ATOM 0 HB3 PRO A 4 -24.507 6.277 1.632 0.40 0.00 H new ATOM 0 HG2 PRO A 4 -22.856 7.878 3.326 0.26 0.00 H new ATOM 0 HG3 PRO A 4 -24.578 7.589 3.479 0.26 0.00 H new ATOM 0 HD2 PRO A 4 -22.361 6.406 5.016 0.23 0.00 H new ATOM 0 HD3 PRO A 4 -24.069 6.460 5.407 0.23 0.00 H new ATOM 59 N ALA A 5 -20.961 4.681 3.161 0.12 0.00 N ATOM 60 CA ALA A 5 -19.576 4.300 2.938 0.37 0.00 C ATOM 61 C ALA A 5 -19.436 2.782 2.942 0.12 0.00 C ATOM 62 O ALA A 5 -18.613 2.219 2.219 0.61 0.00 O ATOM 63 CB ALA A 5 -18.681 4.921 4.000 1.00 0.00 C ATOM 0 H ALA A 5 -21.117 5.231 4.006 0.12 0.00 H new ATOM 0 HA ALA A 5 -19.264 4.672 1.962 0.37 0.00 H new ATOM 0 HB1 ALA A 5 -17.647 4.628 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.763 6.007 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.991 4.574 4.986 1.00 0.00 H new ATOM 69 N ARG A 6 -20.251 2.131 3.765 0.17 0.00 N ATOM 70 CA ARG A 6 -20.237 0.678 3.877 0.33 0.00 C ATOM 71 C ARG A 6 -20.863 0.035 2.643 1.00 0.00 C ATOM 72 O ARG A 6 -20.374 -0.979 2.143 0.33 0.00 O ATOM 73 CB ARG A 6 -20.994 0.244 5.137 0.19 0.00 C ATOM 74 CG ARG A 6 -20.975 -1.257 5.375 1.00 0.00 C ATOM 75 CD ARG A 6 -21.677 -1.622 6.672 0.59 0.00 C ATOM 76 NE ARG A 6 -21.002 -1.058 7.838 0.52 0.00 N ATOM 77 CZ ARG A 6 -21.320 -1.357 9.095 0.13 0.00 C ATOM 78 NH1 ARG A 6 -22.302 -2.213 9.349 1.00 0.00 N ATOM 79 NH2 ARG A 6 -20.655 -0.802 10.098 1.00 0.00 N ATOM 0 H ARG A 6 -20.934 2.591 4.368 0.17 0.00 H new ATOM 0 HA ARG A 6 -19.201 0.347 3.949 0.33 0.00 H new ATOM 0 HB2 ARG A 6 -20.560 0.746 6.002 0.19 0.00 H new ATOM 0 HB3 ARG A 6 -22.029 0.578 5.061 0.19 0.00 H new ATOM 0 HG2 ARG A 6 -21.460 -1.765 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.944 -1.609 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -22.706 -1.264 6.640 0.59 0.00 H new ATOM 0 HD3 ARG A 6 -21.720 -2.707 6.768 0.59 0.00 H new ATOM 0 HE ARG A 6 -20.242 -0.396 7.679 0.52 0.00 H new ATOM 0 HH11 ARG A 6 -22.815 -2.643 8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.544 -2.440 10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.899 -0.145 9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.900 -1.032 11.061 1.00 0.00 H new ATOM 93 N ARG A 7 -21.946 0.634 2.155 1.00 0.00 N ATOM 94 CA ARG A 7 -22.644 0.123 0.979 0.18 0.00 C ATOM 95 C ARG A 7 -21.742 0.155 -0.251 0.50 0.00 C ATOM 96 O ARG A 7 -21.750 -0.773 -1.061 1.00 0.00 O ATOM 97 CB ARG A 7 -23.909 0.944 0.719 0.33 0.00 C ATOM 98 CG ARG A 7 -24.702 0.482 -0.491 0.46 0.00 C ATOM 99 CD ARG A 7 -25.927 1.353 -0.714 0.63 0.00 C ATOM 100 NE ARG A 7 -26.708 0.922 -1.869 0.61 0.00 N ATOM 101 CZ ARG A 7 -27.980 1.258 -2.065 0.59 0.00 C ATOM 102 NH1 ARG A 7 -28.613 2.014 -1.178 0.21 0.00 N ATOM 103 NH2 ARG A 7 -28.618 0.839 -3.149 0.19 0.00 N ATOM 0 H ARG A 7 -22.360 1.475 2.557 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.921 -0.913 1.174 0.18 0.00 H new ATOM 0 HB2 ARG A 7 -24.549 0.897 1.600 0.33 0.00 H new ATOM 0 HB3 ARG A 7 -23.631 1.989 0.582 0.33 0.00 H new ATOM 0 HG2 ARG A 7 -24.067 0.510 -1.377 0.46 0.00 H new ATOM 0 HG3 ARG A 7 -25.010 -0.554 -0.352 0.46 0.00 H new ATOM 0 HD2 ARG A 7 -26.555 1.328 0.177 0.63 0.00 H new ATOM 0 HD3 ARG A 7 -25.614 2.388 -0.855 0.63 0.00 H new ATOM 0 HE ARG A 7 -26.253 0.330 -2.564 0.61 0.00 H new ATOM 0 HH11 ARG A 7 -28.124 2.339 -0.344 0.21 0.00 H new ATOM 0 HH12 ARG A 7 -29.588 2.271 -1.330 0.21 0.00 H new ATOM 0 HH21 ARG A 7 -28.133 0.258 -3.834 0.19 0.00 H new ATOM 0 HH22 ARG A 7 -29.593 1.097 -3.298 0.19 0.00 H new ATOM 117 N ARG A 8 -20.966 1.225 -0.383 0.20 0.00 N ATOM 118 CA ARG A 8 -20.062 1.378 -1.517 1.00 0.00 C ATOM 119 C ARG A 8 -19.006 0.277 -1.531 0.77 0.00 C ATOM 120 O ARG A 8 -18.741 -0.326 -2.571 0.06 0.00 O ATOM 121 CB ARG A 8 -19.385 2.749 -1.478 1.00 0.00 C ATOM 122 CG ARG A 8 -20.333 3.904 -1.764 0.33 0.00 C ATOM 123 CD ARG A 8 -20.836 3.868 -3.199 0.35 0.00 C ATOM 124 NE ARG A 8 -21.714 4.996 -3.499 0.83 0.00 N ATOM 125 CZ ARG A 8 -22.118 5.309 -4.727 1.00 0.00 C ATOM 126 NH1 ARG A 8 -21.722 4.584 -5.764 0.31 0.00 N ATOM 127 NH2 ARG A 8 -22.918 6.350 -4.917 0.62 0.00 N ATOM 0 H ARG A 8 -20.945 1.999 0.281 0.20 0.00 H new ATOM 0 HA ARG A 8 -20.653 1.298 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.934 2.895 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.575 2.766 -2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.180 3.860 -1.079 0.33 0.00 H new ATOM 0 HG3 ARG A 8 -19.823 4.849 -1.579 0.33 0.00 H new ATOM 0 HD2 ARG A 8 -19.986 3.878 -3.881 0.35 0.00 H new ATOM 0 HD3 ARG A 8 -21.372 2.935 -3.372 0.35 0.00 H new ATOM 0 HE ARG A 8 -22.035 5.576 -2.724 0.83 0.00 H new ATOM 0 HH11 ARG A 8 -21.106 3.784 -5.621 0.31 0.00 H new ATOM 0 HH12 ARG A 8 -22.034 4.826 -6.705 0.31 0.00 H new ATOM 0 HH21 ARG A 8 -23.223 6.910 -4.121 0.62 0.00 H new ATOM 0 HH22 ARG A 8 -23.228 6.590 -5.859 0.62 0.00 H new ATOM 141 N LEU A 9 -18.409 0.020 -0.372 0.11 0.00 N ATOM 142 CA LEU A 9 -17.379 -1.007 -0.252 1.00 0.00 C ATOM 143 C LEU A 9 -17.888 -2.360 -0.738 0.10 0.00 C ATOM 144 O LEU A 9 -17.130 -3.153 -1.294 0.79 0.00 O ATOM 145 CB LEU A 9 -16.906 -1.116 1.199 0.05 0.00 C ATOM 146 CG LEU A 9 -16.078 0.067 1.702 0.83 0.00 C ATOM 147 CD1 LEU A 9 -15.831 -0.052 3.198 0.38 0.00 C ATOM 148 CD2 LEU A 9 -14.757 0.151 0.949 0.09 0.00 C ATOM 0 H LEU A 9 -18.620 0.509 0.498 0.11 0.00 H new ATOM 0 HA LEU A 9 -16.539 -0.714 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.779 -1.228 1.842 0.05 0.00 H new ATOM 0 HB3 LEU A 9 -16.314 -2.025 1.304 0.05 0.00 H new ATOM 0 HG LEU A 9 -16.639 0.983 1.518 0.83 0.00 H new ATOM 0 HD11 LEU A 9 -15.240 0.799 3.538 0.38 0.00 H new ATOM 0 HD12 LEU A 9 -16.785 -0.065 3.724 0.38 0.00 H new ATOM 0 HD13 LEU A 9 -15.290 -0.975 3.405 0.38 0.00 H new ATOM 0 HD21 LEU A 9 -14.180 0.998 1.320 0.09 0.00 H new ATOM 0 HD22 LEU A 9 -14.191 -0.768 1.103 0.09 0.00 H new ATOM 0 HD23 LEU A 9 -14.953 0.283 -0.115 0.09 0.00 H new ATOM 160 N MET A 10 -19.176 -2.618 -0.525 1.00 0.00 N ATOM 161 CA MET A 10 -19.780 -3.876 -0.948 0.06 0.00 C ATOM 162 C MET A 10 -19.702 -4.033 -2.462 0.35 0.00 C ATOM 163 O MET A 10 -19.415 -5.118 -2.970 0.17 0.00 O ATOM 164 CB MET A 10 -21.238 -3.949 -0.489 0.86 0.00 C ATOM 165 CG MET A 10 -21.399 -3.968 1.022 0.73 0.00 C ATOM 166 SD MET A 10 -23.125 -4.036 1.537 1.00 0.00 S ATOM 167 CE MET A 10 -22.947 -3.975 3.319 0.25 0.00 C ATOM 0 H MET A 10 -19.819 -1.974 -0.063 1.00 0.00 H new ATOM 0 HA MET A 10 -19.222 -4.691 -0.486 0.06 0.00 H new ATOM 0 HB2 MET A 10 -21.781 -3.095 -0.893 0.86 0.00 H new ATOM 0 HB3 MET A 10 -21.697 -4.845 -0.906 0.86 0.00 H new ATOM 0 HG2 MET A 10 -20.869 -4.829 1.429 0.73 0.00 H new ATOM 0 HG3 MET A 10 -20.933 -3.078 1.444 0.73 0.00 H new ATOM 0 HE1 MET A 10 -23.585 -4.733 3.774 0.25 0.00 H new ATOM 0 HE2 MET A 10 -21.908 -4.166 3.588 0.25 0.00 H new ATOM 0 HE3 MET A 10 -23.240 -2.989 3.680 0.25 0.00 H new ATOM 177 N ARG A 11 -19.956 -2.943 -3.179 0.29 0.00 N ATOM 178 CA ARG A 11 -19.911 -2.959 -4.636 0.63 0.00 C ATOM 179 C ARG A 11 -18.484 -3.170 -5.130 0.24 0.00 C ATOM 180 O ARG A 11 -18.266 -3.732 -6.203 1.00 0.00 O ATOM 181 CB ARG A 11 -20.476 -1.655 -5.202 0.06 0.00 C ATOM 182 CG ARG A 11 -21.954 -1.449 -4.905 0.11 0.00 C ATOM 183 CD ARG A 11 -22.818 -2.483 -5.612 0.25 0.00 C ATOM 184 NE ARG A 11 -22.702 -2.393 -7.066 0.65 0.00 N ATOM 185 CZ ARG A 11 -23.513 -3.018 -7.913 0.36 0.00 C ATOM 186 NH1 ARG A 11 -24.506 -3.769 -7.455 0.11 0.00 N ATOM 187 NH2 ARG A 11 -23.335 -2.891 -9.221 0.43 0.00 N ATOM 0 H ARG A 11 -20.195 -2.038 -2.774 0.29 0.00 H new ATOM 0 HA ARG A 11 -20.524 -3.789 -4.986 0.63 0.00 H new ATOM 0 HB2 ARG A 11 -19.912 -0.817 -4.792 0.06 0.00 H new ATOM 0 HB3 ARG A 11 -20.326 -1.643 -6.282 0.06 0.00 H new ATOM 0 HG2 ARG A 11 -22.121 -1.509 -3.830 0.11 0.00 H new ATOM 0 HG3 ARG A 11 -22.253 -0.449 -5.219 0.11 0.00 H new ATOM 0 HD2 ARG A 11 -22.527 -3.482 -5.286 0.25 0.00 H new ATOM 0 HD3 ARG A 11 -23.860 -2.344 -5.322 0.25 0.00 H new ATOM 0 HE ARG A 11 -21.955 -1.817 -7.453 0.65 0.00 H new ATOM 0 HH11 ARG A 11 -24.649 -3.868 -6.450 0.11 0.00 H new ATOM 0 HH12 ARG A 11 -25.127 -4.247 -8.108 0.11 0.00 H new ATOM 0 HH21 ARG A 11 -22.575 -2.313 -9.578 0.43 0.00 H new ATOM 0 HH22 ARG A 11 -23.959 -3.372 -9.870 0.43 0.00 H new ATOM 201 N ASP A 12 -17.515 -2.714 -4.341 0.43 0.00 N ATOM 202 CA ASP A 12 -16.108 -2.860 -4.697 0.18 0.00 C ATOM 203 C ASP A 12 -15.665 -4.313 -4.553 0.31 0.00 C ATOM 204 O ASP A 12 -14.962 -4.845 -5.412 0.16 0.00 O ATOM 205 CB ASP A 12 -15.235 -1.959 -3.820 1.00 0.00 C ATOM 206 CG ASP A 12 -15.504 -0.485 -4.054 0.10 0.00 C ATOM 207 OD1 ASP A 12 -15.009 0.053 -5.066 0.27 0.00 O ATOM 208 OD2 ASP A 12 -16.206 0.129 -3.225 0.06 0.00 O ATOM 0 H ASP A 12 -17.679 -2.241 -3.452 0.43 0.00 H new ATOM 0 HA ASP A 12 -15.989 -2.559 -5.738 0.18 0.00 H new ATOM 0 HB2 ASP A 12 -15.413 -2.196 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.185 -2.170 -4.020 1.00 0.00 H new ATOM 213 N PHE A 13 -16.081 -4.948 -3.459 1.00 0.00 N ATOM 214 CA PHE A 13 -15.734 -6.342 -3.206 0.06 0.00 C ATOM 215 C PHE A 13 -16.370 -7.245 -4.256 1.00 0.00 C ATOM 216 O PHE A 13 -15.778 -8.238 -4.679 1.00 0.00 O ATOM 217 CB PHE A 13 -16.188 -6.761 -1.805 0.33 0.00 C ATOM 218 CG PHE A 13 -15.995 -8.224 -1.513 0.08 0.00 C ATOM 219 CD1 PHE A 13 -14.773 -8.838 -1.741 0.83 0.00 C ATOM 220 CD2 PHE A 13 -17.037 -8.986 -1.009 0.13 0.00 C ATOM 221 CE1 PHE A 13 -14.593 -10.181 -1.470 1.00 0.00 C ATOM 222 CE2 PHE A 13 -16.865 -10.330 -0.737 0.41 0.00 C ATOM 223 CZ PHE A 13 -15.640 -10.928 -0.967 0.24 0.00 C ATOM 0 H PHE A 13 -16.658 -4.519 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 13 -14.650 -6.444 -3.266 0.06 0.00 H new ATOM 0 HB2 PHE A 13 -15.638 -6.178 -1.066 0.33 0.00 H new ATOM 0 HB3 PHE A 13 -17.243 -6.513 -1.686 0.33 0.00 H new ATOM 0 HD1 PHE A 13 -13.951 -8.259 -2.136 0.83 0.00 H new ATOM 0 HD2 PHE A 13 -17.996 -8.524 -0.826 0.13 0.00 H new ATOM 0 HE1 PHE A 13 -13.635 -10.646 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -17.686 -10.912 -0.345 0.41 0.00 H new ATOM 0 HZ PHE A 13 -15.502 -11.978 -0.754 0.24 0.00 H new ATOM 233 N LYS A 14 -17.580 -6.888 -4.672 0.66 0.00 N ATOM 234 CA LYS A 14 -18.303 -7.649 -5.673 0.08 0.00 C ATOM 235 C LYS A 14 -17.596 -7.564 -7.023 0.32 0.00 C ATOM 236 O LYS A 14 -17.592 -8.521 -7.796 0.32 0.00 O ATOM 237 CB LYS A 14 -19.729 -7.121 -5.779 0.50 0.00 C ATOM 238 CG LYS A 14 -20.455 -7.583 -7.021 1.00 0.00 C ATOM 239 CD LYS A 14 -21.924 -7.214 -6.956 0.12 0.00 C ATOM 240 CE LYS A 14 -22.572 -7.235 -8.332 1.00 0.00 C ATOM 241 NZ LYS A 14 -22.511 -8.585 -8.958 0.64 0.00 N ATOM 0 H LYS A 14 -18.080 -6.069 -4.326 0.66 0.00 H new ATOM 0 HA LYS A 14 -18.333 -8.697 -5.375 0.08 0.00 H new ATOM 0 HB2 LYS A 14 -20.291 -7.438 -4.901 0.50 0.00 H new ATOM 0 HB3 LYS A 14 -19.706 -6.031 -5.766 0.50 0.00 H new ATOM 0 HG2 LYS A 14 -20.001 -7.131 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -20.351 -8.663 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.445 -7.910 -6.298 0.12 0.00 H new ATOM 0 HD3 LYS A 14 -22.031 -6.221 -6.519 0.12 0.00 H new ATOM 0 HE2 LYS A 14 -23.613 -6.922 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.073 -6.513 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.051 -8.580 -9.847 0.64 0.00 H new ATOM 0 HZ2 LYS A 14 -21.520 -8.831 -9.156 0.64 0.00 H new ATOM 0 HZ3 LYS A 14 -22.919 -9.287 -8.309 0.64 0.00 H new ATOM 255 N ARG A 15 -16.995 -6.409 -7.294 1.00 0.00 N ATOM 256 CA ARG A 15 -16.280 -6.192 -8.545 0.13 0.00 C ATOM 257 C ARG A 15 -14.895 -6.831 -8.491 0.18 0.00 C ATOM 258 O ARG A 15 -14.362 -7.265 -9.512 0.23 0.00 O ATOM 259 CB ARG A 15 -16.160 -4.691 -8.827 0.15 0.00 C ATOM 260 CG ARG A 15 -15.758 -4.359 -10.257 0.18 0.00 C ATOM 261 CD ARG A 15 -14.247 -4.308 -10.420 0.13 0.00 C ATOM 262 NE ARG A 15 -13.853 -3.816 -11.737 1.00 0.00 N ATOM 263 CZ ARG A 15 -12.600 -3.514 -12.067 1.00 0.00 C ATOM 264 NH1 ARG A 15 -11.625 -3.658 -11.181 1.00 0.00 N ATOM 265 NH2 ARG A 15 -12.324 -3.069 -13.285 0.26 0.00 N ATOM 0 H ARG A 15 -16.990 -5.608 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.843 -6.661 -9.352 0.13 0.00 H new ATOM 0 HB2 ARG A 15 -17.115 -4.213 -8.609 0.15 0.00 H new ATOM 0 HB3 ARG A 15 -15.426 -4.261 -8.145 0.15 0.00 H new ATOM 0 HG2 ARG A 15 -16.172 -5.106 -10.934 0.18 0.00 H new ATOM 0 HG3 ARG A 15 -16.187 -3.398 -10.542 0.18 0.00 H new ATOM 0 HD2 ARG A 15 -13.821 -3.664 -9.651 0.13 0.00 H new ATOM 0 HD3 ARG A 15 -13.832 -5.304 -10.267 0.13 0.00 H new ATOM 0 HE ARG A 15 -14.579 -3.697 -12.444 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.834 -4.001 -10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.665 -3.426 -11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.072 -2.958 -13.969 0.26 0.00 H new ATOM 0 HH22 ARG A 15 -11.363 -2.837 -13.538 0.26 0.00 H new ATOM 279 N LEU A 16 -14.323 -6.896 -7.291 0.32 0.00 N ATOM 280 CA LEU A 16 -12.998 -7.483 -7.104 0.05 0.00 C ATOM 281 C LEU A 16 -13.006 -8.956 -7.498 0.13 0.00 C ATOM 282 O LEU A 16 -12.022 -9.475 -8.027 0.61 0.00 O ATOM 283 CB LEU A 16 -12.552 -7.330 -5.645 1.00 0.00 C ATOM 284 CG LEU A 16 -11.054 -7.066 -5.431 0.06 0.00 C ATOM 285 CD1 LEU A 16 -10.217 -8.236 -5.927 0.11 0.00 C ATOM 286 CD2 LEU A 16 -10.632 -5.777 -6.120 0.06 0.00 C ATOM 0 H LEU A 16 -14.755 -6.550 -6.434 0.32 0.00 H new ATOM 0 HA LEU A 16 -12.293 -6.955 -7.746 0.05 0.00 H new ATOM 0 HB2 LEU A 16 -13.114 -6.511 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.823 -8.237 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.882 -6.957 -4.360 0.06 0.00 H new ATOM 0 HD11 LEU A 16 -9.161 -8.023 -5.763 0.11 0.00 H new ATOM 0 HD12 LEU A 16 -10.494 -9.138 -5.382 0.11 0.00 H new ATOM 0 HD13 LEU A 16 -10.396 -8.386 -6.992 0.11 0.00 H new ATOM 0 HD21 LEU A 16 -9.568 -5.608 -5.956 0.06 0.00 H new ATOM 0 HD22 LEU A 16 -10.827 -5.856 -7.190 0.06 0.00 H new ATOM 0 HD23 LEU A 16 -11.199 -4.942 -5.709 0.06 0.00 H new ATOM 298 N GLN A 17 -14.127 -9.624 -7.242 0.99 0.00 N ATOM 299 CA GLN A 17 -14.272 -11.034 -7.565 0.15 0.00 C ATOM 300 C GLN A 17 -14.417 -11.240 -9.070 0.06 0.00 C ATOM 301 O GLN A 17 -13.934 -12.230 -9.621 0.95 0.00 O ATOM 302 CB GLN A 17 -15.488 -11.608 -6.841 0.08 0.00 C ATOM 303 CG GLN A 17 -15.299 -11.744 -5.339 0.59 0.00 C ATOM 304 CD GLN A 17 -14.205 -12.729 -4.975 0.27 0.00 C ATOM 305 OE1 GLN A 17 -13.946 -13.683 -5.710 0.16 0.00 O ATOM 306 NE2 GLN A 17 -13.561 -12.505 -3.838 1.00 0.00 N ATOM 0 H GLN A 17 -14.951 -9.206 -6.809 0.99 0.00 H new ATOM 0 HA GLN A 17 -13.373 -11.555 -7.236 0.15 0.00 H new ATOM 0 HB2 GLN A 17 -16.349 -10.968 -7.033 0.08 0.00 H new ATOM 0 HB3 GLN A 17 -15.719 -12.588 -7.259 0.08 0.00 H new ATOM 0 HG2 GLN A 17 -15.059 -10.768 -4.917 0.59 0.00 H new ATOM 0 HG3 GLN A 17 -16.237 -12.065 -4.886 0.59 0.00 H new ATOM 0 HE21 GLN A 17 -13.810 -11.702 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.817 -13.136 -3.540 1.00 0.00 H new ATOM 315 N GLU A 18 -15.083 -10.297 -9.729 0.12 0.00 N ATOM 316 CA GLU A 18 -15.298 -10.374 -11.170 0.28 0.00 C ATOM 317 C GLU A 18 -13.994 -10.178 -11.936 0.08 0.00 C ATOM 318 O GLU A 18 -13.737 -10.863 -12.926 0.15 0.00 O ATOM 319 CB GLU A 18 -16.321 -9.326 -11.607 1.00 0.00 C ATOM 320 CG GLU A 18 -17.685 -9.496 -10.956 0.60 0.00 C ATOM 321 CD GLU A 18 -18.335 -10.819 -11.305 0.11 0.00 C ATOM 322 OE1 GLU A 18 -18.101 -11.806 -10.578 0.97 0.00 O ATOM 323 OE2 GLU A 18 -19.078 -10.868 -12.309 0.05 0.00 O ATOM 0 H GLU A 18 -15.484 -9.469 -9.287 0.12 0.00 H new ATOM 0 HA GLU A 18 -15.680 -11.369 -11.399 0.28 0.00 H new ATOM 0 HB2 GLU A 18 -15.936 -8.334 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.436 -9.373 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.579 -9.422 -9.874 0.60 0.00 H new ATOM 0 HG3 GLU A 18 -18.337 -8.681 -11.269 0.60 0.00 H new ATOM 330 N ASP A 19 -13.175 -9.239 -11.473 0.49 0.00 N ATOM 331 CA ASP A 19 -11.899 -8.952 -12.118 0.12 0.00 C ATOM 332 C ASP A 19 -10.930 -8.288 -11.142 1.00 0.00 C ATOM 333 O ASP A 19 -10.855 -7.061 -11.070 0.08 0.00 O ATOM 334 CB ASP A 19 -12.112 -8.054 -13.339 0.42 0.00 C ATOM 335 CG ASP A 19 -10.809 -7.691 -14.024 0.56 0.00 C ATOM 336 OD1 ASP A 19 -10.308 -8.512 -14.821 0.16 0.00 O ATOM 337 OD2 ASP A 19 -10.288 -6.586 -13.763 0.15 0.00 O ATOM 0 H ASP A 19 -13.372 -8.664 -10.654 0.49 0.00 H new ATOM 0 HA ASP A 19 -11.464 -9.897 -12.443 0.12 0.00 H new ATOM 0 HB2 ASP A 19 -12.764 -8.561 -14.050 0.42 0.00 H new ATOM 0 HB3 ASP A 19 -12.624 -7.142 -13.031 0.42 0.00 H new ATOM 342 N PRO A 20 -10.179 -9.094 -10.367 0.52 0.00 N ATOM 343 CA PRO A 20 -9.211 -8.575 -9.396 1.00 0.00 C ATOM 344 C PRO A 20 -8.042 -7.864 -10.074 0.59 0.00 C ATOM 345 O PRO A 20 -7.707 -8.168 -11.219 1.00 0.00 O ATOM 346 CB PRO A 20 -8.719 -9.831 -8.669 1.00 0.00 C ATOM 347 CG PRO A 20 -8.975 -10.946 -9.621 0.42 0.00 C ATOM 348 CD PRO A 20 -10.220 -10.568 -10.370 0.06 0.00 C ATOM 0 HA PRO A 20 -9.658 -7.833 -8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.660 -9.756 -8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.254 -9.981 -7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.134 -11.079 -10.302 0.42 0.00 H new ATOM 0 HG3 PRO A 20 -9.109 -11.889 -9.091 0.42 0.00 H new ATOM 0 HD2 PRO A 20 -10.218 -10.969 -11.384 0.06 0.00 H new ATOM 0 HD3 PRO A 20 -11.116 -10.947 -9.879 0.06 0.00 H new ATOM 356 N PRO A 21 -7.403 -6.905 -9.378 0.25 0.00 N ATOM 357 CA PRO A 21 -6.267 -6.160 -9.930 1.00 0.00 C ATOM 358 C PRO A 21 -5.090 -7.069 -10.267 1.00 0.00 C ATOM 359 O PRO A 21 -4.967 -8.169 -9.726 0.14 0.00 O ATOM 360 CB PRO A 21 -5.888 -5.180 -8.814 1.00 0.00 C ATOM 361 CG PRO A 21 -6.497 -5.739 -7.573 1.00 0.00 C ATOM 362 CD PRO A 21 -7.735 -6.471 -8.008 0.15 0.00 C ATOM 0 HA PRO A 21 -6.526 -5.667 -10.867 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.806 -5.095 -8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.269 -4.180 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.804 -6.412 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.742 -4.945 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.951 -7.319 -7.358 0.15 0.00 H new ATOM 0 HD3 PRO A 21 -8.612 -5.824 -7.991 0.15 0.00 H new ATOM 370 N VAL A 22 -4.229 -6.602 -11.165 0.48 0.00 N ATOM 371 CA VAL A 22 -3.061 -7.369 -11.582 0.34 0.00 C ATOM 372 C VAL A 22 -1.841 -7.015 -10.737 0.45 0.00 C ATOM 373 O VAL A 22 -1.659 -5.861 -10.347 0.14 0.00 O ATOM 374 CB VAL A 22 -2.734 -7.121 -13.069 0.22 0.00 C ATOM 375 CG1 VAL A 22 -1.530 -7.944 -13.503 0.08 0.00 C ATOM 376 CG2 VAL A 22 -3.943 -7.433 -13.939 0.63 0.00 C ATOM 0 H VAL A 22 -4.319 -5.693 -11.619 0.48 0.00 H new ATOM 0 HA VAL A 22 -3.302 -8.422 -11.440 0.34 0.00 H new ATOM 0 HB VAL A 22 -2.484 -6.067 -13.193 0.22 0.00 H new ATOM 0 HG11 VAL A 22 -1.319 -7.753 -14.555 0.08 0.00 H new ATOM 0 HG12 VAL A 22 -0.664 -7.666 -12.902 0.08 0.00 H new ATOM 0 HG13 VAL A 22 -1.744 -9.004 -13.363 0.08 0.00 H new ATOM 0 HG21 VAL A 22 -3.695 -7.253 -14.985 0.63 0.00 H new ATOM 0 HG22 VAL A 22 -4.226 -8.478 -13.808 0.63 0.00 H new ATOM 0 HG23 VAL A 22 -4.776 -6.793 -13.648 0.63 0.00 H new ATOM 386 N GLY A 23 -1.012 -8.016 -10.456 0.12 0.00 N ATOM 387 CA GLY A 23 0.183 -7.794 -9.660 0.12 0.00 C ATOM 388 C GLY A 23 -0.127 -7.515 -8.202 1.00 0.00 C ATOM 389 O GLY A 23 0.783 -7.376 -7.384 0.12 0.00 O ATOM 0 H GLY A 23 -1.146 -8.979 -10.766 0.12 0.00 H new ATOM 0 HA2 GLY A 23 0.828 -8.670 -9.729 0.12 0.00 H new ATOM 0 HA3 GLY A 23 0.740 -6.955 -10.076 0.12 0.00 H new ATOM 393 N VAL A 24 -1.412 -7.435 -7.875 0.10 0.00 N ATOM 394 CA VAL A 24 -1.840 -7.169 -6.507 1.00 0.00 C ATOM 395 C VAL A 24 -3.262 -7.672 -6.276 0.32 0.00 C ATOM 396 O VAL A 24 -4.070 -7.718 -7.203 1.00 0.00 O ATOM 397 CB VAL A 24 -1.772 -5.663 -6.181 0.97 0.00 C ATOM 398 CG1 VAL A 24 -2.684 -4.871 -7.105 0.32 0.00 C ATOM 399 CG2 VAL A 24 -2.127 -5.409 -4.724 0.83 0.00 C ATOM 0 H VAL A 24 -2.177 -7.551 -8.540 0.10 0.00 H new ATOM 0 HA VAL A 24 -1.157 -7.702 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.748 -5.326 -6.343 0.97 0.00 H new ATOM 0 HG11 VAL A 24 -2.621 -3.811 -6.858 0.32 0.00 H new ATOM 0 HG12 VAL A 24 -2.374 -5.022 -8.139 0.32 0.00 H new ATOM 0 HG13 VAL A 24 -3.712 -5.212 -6.981 0.32 0.00 H new ATOM 0 HG21 VAL A 24 -2.072 -4.340 -4.517 0.83 0.00 H new ATOM 0 HG22 VAL A 24 -3.138 -5.765 -4.529 0.83 0.00 H new ATOM 0 HG23 VAL A 24 -1.425 -5.939 -4.081 0.83 0.00 H new ATOM 409 N SER A 25 -3.561 -8.056 -5.037 1.00 0.00 N ATOM 410 CA SER A 25 -4.891 -8.554 -4.696 1.00 0.00 C ATOM 411 C SER A 25 -5.348 -8.020 -3.342 0.05 0.00 C ATOM 412 O SER A 25 -4.588 -8.024 -2.376 1.00 0.00 O ATOM 413 CB SER A 25 -4.897 -10.083 -4.681 1.00 0.00 C ATOM 414 OG SER A 25 -4.521 -10.607 -5.944 0.26 0.00 O ATOM 0 H SER A 25 -2.904 -8.032 -4.257 1.00 0.00 H new ATOM 0 HA SER A 25 -5.587 -8.200 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.211 -10.445 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.891 -10.443 -4.415 1.00 0.00 H new ATOM 0 HG SER A 25 -4.531 -11.586 -5.908 0.26 0.00 H new ATOM 420 N GLY A 26 -6.594 -7.560 -3.280 0.09 0.00 N ATOM 421 CA GLY A 26 -7.131 -7.033 -2.037 0.11 0.00 C ATOM 422 C GLY A 26 -8.568 -7.455 -1.800 0.34 0.00 C ATOM 423 O GLY A 26 -9.452 -7.144 -2.597 0.18 0.00 O ATOM 0 H GLY A 26 -7.242 -7.543 -4.068 0.09 0.00 H new ATOM 0 HA2 GLY A 26 -6.514 -7.373 -1.205 0.11 0.00 H new ATOM 0 HA3 GLY A 26 -7.073 -5.945 -2.053 0.11 0.00 H new ATOM 427 N ALA A 27 -8.801 -8.166 -0.701 0.48 0.00 N ATOM 428 CA ALA A 27 -10.142 -8.630 -0.363 1.00 0.00 C ATOM 429 C ALA A 27 -10.250 -8.969 1.124 1.00 0.00 C ATOM 430 O ALA A 27 -9.261 -9.354 1.749 0.59 0.00 O ATOM 431 CB ALA A 27 -10.508 -9.841 -1.209 0.22 0.00 C ATOM 0 H ALA A 27 -8.080 -8.433 -0.031 0.48 0.00 H new ATOM 0 HA ALA A 27 -10.843 -7.823 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.511 -10.178 -0.947 0.22 0.00 H new ATOM 0 HB2 ALA A 27 -10.480 -9.569 -2.264 0.22 0.00 H new ATOM 0 HB3 ALA A 27 -9.795 -10.644 -1.022 0.22 0.00 H new ATOM 437 N PRO A 28 -11.454 -8.827 1.711 0.40 0.00 N ATOM 438 CA PRO A 28 -11.676 -9.125 3.130 0.08 0.00 C ATOM 439 C PRO A 28 -11.650 -10.623 3.417 1.00 0.00 C ATOM 440 O PRO A 28 -12.495 -11.373 2.927 0.23 0.00 O ATOM 441 CB PRO A 28 -13.069 -8.553 3.398 1.00 0.00 C ATOM 442 CG PRO A 28 -13.757 -8.599 2.078 1.00 0.00 C ATOM 443 CD PRO A 28 -12.689 -8.365 1.044 0.08 0.00 C ATOM 0 HA PRO A 28 -10.897 -8.700 3.764 0.08 0.00 H new ATOM 0 HB2 PRO A 28 -13.603 -9.143 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.012 -7.534 3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.243 -9.562 1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.533 -7.837 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.885 -8.926 0.130 0.08 0.00 H new ATOM 0 HD3 PRO A 28 -12.625 -7.313 0.765 0.08 0.00 H new ATOM 451 N SER A 29 -10.675 -11.050 4.213 0.78 0.00 N ATOM 452 CA SER A 29 -10.538 -12.461 4.561 1.00 0.00 C ATOM 453 C SER A 29 -11.166 -12.758 5.920 1.00 0.00 C ATOM 454 O SER A 29 -12.332 -13.148 6.003 0.44 0.00 O ATOM 455 CB SER A 29 -9.062 -12.867 4.566 0.06 0.00 C ATOM 456 OG SER A 29 -8.474 -12.671 3.292 0.46 0.00 O ATOM 0 H SER A 29 -9.970 -10.442 4.629 0.78 0.00 H new ATOM 0 HA SER A 29 -11.066 -13.044 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.524 -12.283 5.312 0.06 0.00 H new ATOM 0 HB3 SER A 29 -8.971 -13.914 4.855 0.06 0.00 H new ATOM 0 HG SER A 29 -7.531 -12.936 3.323 0.46 0.00 H new ATOM 462 N GLU A 30 -10.389 -12.571 6.984 0.12 0.00 N ATOM 463 CA GLU A 30 -10.871 -12.822 8.338 0.46 0.00 C ATOM 464 C GLU A 30 -11.321 -11.526 9.002 0.84 0.00 C ATOM 465 O GLU A 30 -12.078 -11.541 9.972 0.52 0.00 O ATOM 466 CB GLU A 30 -9.776 -13.484 9.176 1.00 0.00 C ATOM 467 CG GLU A 30 -9.292 -14.810 8.610 1.00 0.00 C ATOM 468 CD GLU A 30 -8.158 -15.410 9.419 0.68 0.00 C ATOM 469 OE1 GLU A 30 -8.445 -16.119 10.407 1.00 0.00 O ATOM 470 OE2 GLU A 30 -6.985 -15.170 9.065 1.00 0.00 O ATOM 0 H GLU A 30 -9.423 -12.247 6.934 0.12 0.00 H new ATOM 0 HA GLU A 30 -11.727 -13.494 8.275 0.46 0.00 H new ATOM 0 HB2 GLU A 30 -8.929 -12.802 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.151 -13.646 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.124 -15.514 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.962 -14.663 7.582 1.00 0.00 H new ATOM 477 N ASN A 31 -10.847 -10.403 8.469 1.00 0.00 N ATOM 478 CA ASN A 31 -11.197 -9.093 9.005 1.00 0.00 C ATOM 479 C ASN A 31 -12.555 -8.633 8.482 1.00 0.00 C ATOM 480 O ASN A 31 -12.923 -8.923 7.342 0.51 0.00 O ATOM 481 CB ASN A 31 -10.119 -8.070 8.645 0.45 0.00 C ATOM 482 CG ASN A 31 -9.697 -8.161 7.191 0.07 0.00 C ATOM 483 OD1 ASN A 31 -10.482 -8.552 6.326 0.77 0.00 O ATOM 484 ND2 ASN A 31 -8.452 -7.795 6.913 0.16 0.00 N ATOM 0 H ASN A 31 -10.219 -10.375 7.666 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.260 -9.176 10.090 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.492 -7.066 8.850 0.45 0.00 H new ATOM 0 HB3 ASN A 31 -9.249 -8.224 9.283 0.45 0.00 H new ATOM 0 HD21 ASN A 31 -8.112 -7.831 5.952 0.16 0.00 H new ATOM 0 HD22 ASN A 31 -7.835 -7.477 7.660 0.16 0.00 H new ATOM 491 N ASN A 32 -13.294 -7.916 9.323 0.57 0.00 N ATOM 492 CA ASN A 32 -14.612 -7.414 8.952 1.00 0.00 C ATOM 493 C ASN A 32 -14.521 -6.464 7.762 1.00 0.00 C ATOM 494 O ASN A 32 -13.436 -6.204 7.245 0.08 0.00 O ATOM 495 CB ASN A 32 -15.258 -6.696 10.139 0.07 0.00 C ATOM 496 CG ASN A 32 -15.364 -7.579 11.368 0.08 0.00 C ATOM 497 OD1 ASN A 32 -15.538 -8.879 11.154 1.00 0.00 O flip ATOM 498 ND2 ASN A 32 -15.296 -7.098 12.498 0.26 0.00 N flip ATOM 0 H ASN A 32 -13.001 -7.669 10.268 0.57 0.00 H new ATOM 0 HA ASN A 32 -15.229 -8.266 8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.674 -5.808 10.383 0.07 0.00 H new ATOM 0 HB3 ASN A 32 -16.253 -6.355 9.854 0.07 0.00 H new ATOM 0 HD21 ASN A 32 -15.162 -6.094 12.618 0.26 0.00 H new ATOM 0 HD22 ASN A 32 -15.374 -7.703 13.315 0.26 0.00 H new ATOM 505 N ILE A 33 -15.670 -5.947 7.333 0.50 0.00 N ATOM 506 CA ILE A 33 -15.721 -5.020 6.207 0.16 0.00 C ATOM 507 C ILE A 33 -14.828 -3.807 6.463 1.00 0.00 C ATOM 508 O ILE A 33 -14.400 -3.128 5.527 1.00 0.00 O ATOM 509 CB ILE A 33 -17.166 -4.543 5.942 0.09 0.00 C ATOM 510 CG1 ILE A 33 -17.216 -3.606 4.731 0.51 0.00 C ATOM 511 CG2 ILE A 33 -17.733 -3.854 7.175 0.10 0.00 C ATOM 512 CD1 ILE A 33 -16.786 -4.261 3.435 0.67 0.00 C ATOM 0 H ILE A 33 -16.578 -6.155 7.749 0.50 0.00 H new ATOM 0 HA ILE A 33 -15.359 -5.555 5.329 0.16 0.00 H new ATOM 0 HB ILE A 33 -17.779 -5.417 5.721 0.09 0.00 H new ATOM 0 HG12 ILE A 33 -18.232 -3.228 4.617 0.51 0.00 H new ATOM 0 HG13 ILE A 33 -16.575 -2.745 4.922 0.51 0.00 H new ATOM 0 HG21 ILE A 33 -18.752 -3.524 6.971 0.10 0.00 H new ATOM 0 HG22 ILE A 33 -17.738 -4.552 8.012 0.10 0.00 H new ATOM 0 HG23 ILE A 33 -17.116 -2.991 7.426 0.10 0.00 H new ATOM 0 HD11 ILE A 33 -16.848 -3.536 2.623 0.67 0.00 H new ATOM 0 HD12 ILE A 33 -15.759 -4.614 3.529 0.67 0.00 H new ATOM 0 HD13 ILE A 33 -17.441 -5.105 3.219 0.67 0.00 H new ATOM 524 N MET A 34 -14.547 -3.545 7.735 0.08 0.00 N ATOM 525 CA MET A 34 -13.706 -2.419 8.123 0.27 0.00 C ATOM 526 C MET A 34 -12.305 -2.554 7.531 1.00 0.00 C ATOM 527 O MET A 34 -11.849 -1.687 6.786 1.00 0.00 O ATOM 528 CB MET A 34 -13.620 -2.322 9.647 1.00 0.00 C ATOM 529 CG MET A 34 -14.974 -2.366 10.339 0.26 0.00 C ATOM 530 SD MET A 34 -14.853 -2.137 12.124 0.86 0.00 S ATOM 531 CE MET A 34 -14.271 -0.445 12.213 0.87 0.00 C ATOM 0 H MET A 34 -14.891 -4.100 8.518 0.08 0.00 H new ATOM 0 HA MET A 34 -14.159 -1.508 7.732 0.27 0.00 H new ATOM 0 HB2 MET A 34 -13.004 -3.140 10.020 1.00 0.00 H new ATOM 0 HB3 MET A 34 -13.114 -1.394 9.915 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.616 -1.591 9.920 0.26 0.00 H new ATOM 0 HG3 MET A 34 -15.452 -3.323 10.131 0.26 0.00 H new ATOM 0 HE1 MET A 34 -14.496 -0.034 13.197 0.87 0.00 H new ATOM 0 HE2 MET A 34 -13.194 -0.422 12.048 0.87 0.00 H new ATOM 0 HE3 MET A 34 -14.768 0.152 11.448 0.87 0.00 H new ATOM 541 N GLN A 35 -11.626 -3.648 7.868 0.08 0.00 N ATOM 542 CA GLN A 35 -10.275 -3.894 7.371 0.75 0.00 C ATOM 543 C GLN A 35 -10.276 -4.938 6.263 1.00 0.00 C ATOM 544 O GLN A 35 -11.093 -5.857 6.257 1.00 0.00 O ATOM 545 CB GLN A 35 -9.361 -4.346 8.509 0.36 0.00 C ATOM 546 CG GLN A 35 -8.931 -3.213 9.424 1.00 0.00 C ATOM 547 CD GLN A 35 -8.254 -3.703 10.691 0.59 0.00 C ATOM 548 OE1 GLN A 35 -7.567 -4.837 10.597 0.18 0.00 O flip ATOM 549 NE2 GLN A 35 -8.342 -3.067 11.741 0.35 0.00 N flip ATOM 0 H GLN A 35 -11.989 -4.377 8.482 0.08 0.00 H new ATOM 0 HA GLN A 35 -9.898 -2.958 6.960 0.75 0.00 H new ATOM 0 HB2 GLN A 35 -9.876 -5.104 9.099 0.36 0.00 H new ATOM 0 HB3 GLN A 35 -8.474 -4.819 8.087 0.36 0.00 H new ATOM 0 HG2 GLN A 35 -8.249 -2.556 8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.804 -2.617 9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.880 -2.201 11.769 0.35 0.00 H new ATOM 0 HE22 GLN A 35 -7.877 -3.406 12.583 0.35 0.00 H new ATOM 558 N TRP A 36 -9.354 -4.782 5.321 0.06 0.00 N ATOM 559 CA TRP A 36 -9.234 -5.707 4.197 1.00 0.00 C ATOM 560 C TRP A 36 -7.839 -6.319 4.151 0.55 0.00 C ATOM 561 O TRP A 36 -6.859 -5.686 4.543 1.00 0.00 O ATOM 562 CB TRP A 36 -9.520 -4.989 2.874 0.08 0.00 C ATOM 563 CG TRP A 36 -10.980 -4.768 2.600 0.19 0.00 C ATOM 564 CD1 TRP A 36 -11.957 -4.482 3.511 0.35 0.00 C ATOM 565 CD2 TRP A 36 -11.625 -4.807 1.321 1.00 0.00 C ATOM 566 NE1 TRP A 36 -13.168 -4.348 2.879 0.11 0.00 N ATOM 567 CE2 TRP A 36 -12.991 -4.542 1.535 0.45 0.00 C ATOM 568 CE3 TRP A 36 -11.181 -5.042 0.016 0.26 0.00 C ATOM 569 CZ2 TRP A 36 -13.915 -4.504 0.494 0.88 0.00 C ATOM 570 CZ3 TRP A 36 -12.100 -5.005 -1.017 0.62 0.00 C ATOM 571 CH2 TRP A 36 -13.452 -4.736 -0.772 0.14 0.00 C ATOM 0 H TRP A 36 -8.675 -4.021 5.312 0.06 0.00 H new ATOM 0 HA TRP A 36 -9.967 -6.501 4.338 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.012 -4.025 2.879 0.08 0.00 H new ATOM 0 HB3 TRP A 36 -9.092 -5.570 2.057 0.08 0.00 H new ATOM 0 HD1 TRP A 36 -11.799 -4.377 4.574 0.35 0.00 H new ATOM 0 HE1 TRP A 36 -14.055 -4.138 3.336 0.11 0.00 H new ATOM 0 HE3 TRP A 36 -10.140 -5.249 -0.182 0.26 0.00 H new ATOM 0 HZ2 TRP A 36 -14.959 -4.299 0.679 0.88 0.00 H new ATOM 0 HZ3 TRP A 36 -11.769 -5.187 -2.029 0.62 0.00 H new ATOM 0 HH2 TRP A 36 -14.144 -4.711 -1.601 0.14 0.00 H new ATOM 582 N ASN A 37 -7.756 -7.553 3.667 0.97 0.00 N ATOM 583 CA ASN A 37 -6.478 -8.247 3.560 0.18 0.00 C ATOM 584 C ASN A 37 -5.961 -8.197 2.126 0.06 0.00 C ATOM 585 O ASN A 37 -6.491 -8.871 1.242 1.00 0.00 O ATOM 586 CB ASN A 37 -6.617 -9.700 4.015 0.70 0.00 C ATOM 587 CG ASN A 37 -5.310 -10.460 3.923 1.00 0.00 C ATOM 588 OD1 ASN A 37 -4.999 -11.063 2.895 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.533 -10.436 4.999 0.31 0.00 N ATOM 0 H ASN A 37 -8.558 -8.093 3.343 0.97 0.00 H new ATOM 0 HA ASN A 37 -5.762 -7.743 4.209 0.18 0.00 H new ATOM 0 HB2 ASN A 37 -6.976 -9.723 5.044 0.70 0.00 H new ATOM 0 HB3 ASN A 37 -7.369 -10.199 3.404 0.70 0.00 H new ATOM 0 HD21 ASN A 37 -3.640 -10.929 4.995 0.31 0.00 H new ATOM 0 HD22 ASN A 37 -4.829 -9.924 5.830 0.31 0.00 H new ATOM 596 N ALA A 38 -4.925 -7.394 1.903 0.11 0.00 N ATOM 597 CA ALA A 38 -4.344 -7.249 0.573 0.58 0.00 C ATOM 598 C ALA A 38 -2.856 -7.586 0.572 0.33 0.00 C ATOM 599 O ALA A 38 -2.157 -7.371 1.562 1.00 0.00 O ATOM 600 CB ALA A 38 -4.566 -5.835 0.059 1.00 0.00 C ATOM 0 H ALA A 38 -4.471 -6.835 2.625 0.11 0.00 H new ATOM 0 HA ALA A 38 -4.843 -7.955 -0.091 0.58 0.00 H new ATOM 0 HB1 ALA A 38 -4.129 -5.736 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.635 -5.631 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.093 -5.123 0.736 1.00 0.00 H new ATOM 606 N VAL A 39 -2.382 -8.116 -0.552 0.06 0.00 N ATOM 607 CA VAL A 39 -0.979 -8.482 -0.703 0.17 0.00 C ATOM 608 C VAL A 39 -0.392 -7.860 -1.966 0.26 0.00 C ATOM 609 O VAL A 39 -0.930 -8.032 -3.060 0.21 0.00 O ATOM 610 CB VAL A 39 -0.800 -10.010 -0.768 0.35 0.00 C ATOM 611 CG1 VAL A 39 0.674 -10.375 -0.856 0.11 0.00 C ATOM 612 CG2 VAL A 39 -1.452 -10.677 0.434 0.27 0.00 C ATOM 0 H VAL A 39 -2.954 -8.302 -1.376 0.06 0.00 H new ATOM 0 HA VAL A 39 -0.452 -8.101 0.172 0.17 0.00 H new ATOM 0 HB VAL A 39 -1.293 -10.375 -1.669 0.35 0.00 H new ATOM 0 HG11 VAL A 39 0.778 -11.459 -0.901 0.11 0.00 H new ATOM 0 HG12 VAL A 39 1.106 -9.931 -1.753 0.11 0.00 H new ATOM 0 HG13 VAL A 39 1.196 -9.996 0.023 0.11 0.00 H new ATOM 0 HG21 VAL A 39 -1.315 -11.756 0.370 0.27 0.00 H new ATOM 0 HG22 VAL A 39 -0.992 -10.306 1.350 0.27 0.00 H new ATOM 0 HG23 VAL A 39 -2.517 -10.447 0.444 0.27 0.00 H new ATOM 622 N ILE A 40 0.715 -7.140 -1.810 0.76 0.00 N ATOM 623 CA ILE A 40 1.369 -6.493 -2.942 1.00 0.00 C ATOM 624 C ILE A 40 2.694 -7.170 -3.278 0.24 0.00 C ATOM 625 O ILE A 40 3.490 -7.476 -2.390 1.00 0.00 O ATOM 626 CB ILE A 40 1.629 -4.999 -2.659 0.15 0.00 C ATOM 627 CG1 ILE A 40 0.314 -4.278 -2.349 0.08 0.00 C ATOM 628 CG2 ILE A 40 2.336 -4.345 -3.841 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.494 -2.832 -1.939 0.07 0.00 C ATOM 0 H ILE A 40 1.177 -6.990 -0.913 0.76 0.00 H new ATOM 0 HA ILE A 40 0.692 -6.586 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 40 2.279 -4.920 -1.787 0.15 0.00 H new ATOM 0 HG12 ILE A 40 -0.329 -4.320 -3.228 0.08 0.00 H new ATOM 0 HG13 ILE A 40 -0.203 -4.811 -1.551 0.08 0.00 H new ATOM 0 HG21 ILE A 40 2.511 -3.291 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.290 -4.843 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.713 -4.433 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.480 -2.388 -1.736 0.07 0.00 H new ATOM 0 HD12 ILE A 40 1.110 -2.782 -1.041 0.07 0.00 H new ATOM 0 HD13 ILE A 40 0.982 -2.283 -2.745 0.07 0.00 H new ATOM 641 N PHE A 41 2.923 -7.400 -4.568 0.16 0.00 N ATOM 642 CA PHE A 41 4.154 -8.032 -5.027 0.12 0.00 C ATOM 643 C PHE A 41 5.027 -7.022 -5.764 0.05 0.00 C ATOM 644 O PHE A 41 4.564 -6.343 -6.682 0.05 0.00 O ATOM 645 CB PHE A 41 3.837 -9.220 -5.938 0.47 0.00 C ATOM 646 CG PHE A 41 2.946 -10.248 -5.297 0.71 0.00 C ATOM 647 CD1 PHE A 41 3.333 -10.895 -4.134 0.07 0.00 C ATOM 648 CD2 PHE A 41 1.719 -10.566 -5.859 0.11 0.00 C ATOM 649 CE1 PHE A 41 2.515 -11.839 -3.543 0.09 0.00 C ATOM 650 CE2 PHE A 41 0.896 -11.508 -5.271 0.11 0.00 C ATOM 651 CZ PHE A 41 1.294 -12.145 -4.112 0.06 0.00 C ATOM 0 H PHE A 41 2.271 -7.157 -5.314 0.16 0.00 H new ATOM 0 HA PHE A 41 4.700 -8.396 -4.157 0.12 0.00 H new ATOM 0 HB2 PHE A 41 3.360 -8.853 -6.847 0.47 0.00 H new ATOM 0 HB3 PHE A 41 4.770 -9.696 -6.238 0.47 0.00 H new ATOM 0 HD1 PHE A 41 4.286 -10.658 -3.684 0.07 0.00 H new ATOM 0 HD2 PHE A 41 1.403 -10.072 -6.766 0.11 0.00 H new ATOM 0 HE1 PHE A 41 2.830 -12.337 -2.638 0.09 0.00 H new ATOM 0 HE2 PHE A 41 -0.058 -11.746 -5.718 0.11 0.00 H new ATOM 0 HZ PHE A 41 0.652 -12.881 -3.651 0.06 0.00 H new ATOM 661 N GLY A 42 6.289 -6.925 -5.354 0.51 0.00 N ATOM 662 CA GLY A 42 7.208 -5.989 -5.980 0.09 0.00 C ATOM 663 C GLY A 42 7.246 -6.127 -7.493 0.07 0.00 C ATOM 664 O GLY A 42 7.186 -7.242 -8.012 0.51 0.00 O ATOM 0 H GLY A 42 6.692 -7.479 -4.598 0.51 0.00 H new ATOM 0 HA2 GLY A 42 6.917 -4.971 -5.719 0.09 0.00 H new ATOM 0 HA3 GLY A 42 8.209 -6.147 -5.580 0.09 0.00 H new ATOM 668 N PRO A 43 7.345 -5.005 -8.234 0.24 0.00 N ATOM 669 CA PRO A 43 7.390 -5.033 -9.700 0.07 0.00 C ATOM 670 C PRO A 43 8.673 -5.664 -10.229 0.09 0.00 C ATOM 671 O PRO A 43 9.598 -5.945 -9.466 0.68 0.00 O ATOM 672 CB PRO A 43 7.321 -3.555 -10.093 0.13 0.00 C ATOM 673 CG PRO A 43 7.837 -2.820 -8.905 0.22 0.00 C ATOM 674 CD PRO A 43 7.420 -3.627 -7.707 1.00 0.00 C ATOM 0 HA PRO A 43 6.582 -5.635 -10.117 0.07 0.00 H new ATOM 0 HB2 PRO A 43 7.926 -3.352 -10.977 0.13 0.00 H new ATOM 0 HB3 PRO A 43 6.300 -3.256 -10.330 0.13 0.00 H new ATOM 0 HG2 PRO A 43 8.921 -2.719 -8.949 0.22 0.00 H new ATOM 0 HG3 PRO A 43 7.424 -1.812 -8.860 0.22 0.00 H new ATOM 0 HD2 PRO A 43 8.143 -3.546 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.460 -3.294 -7.313 1.00 0.00 H new ATOM 682 N GLU A 44 8.722 -5.885 -11.539 0.16 0.00 N ATOM 683 CA GLU A 44 9.891 -6.485 -12.173 1.00 0.00 C ATOM 684 C GLU A 44 10.970 -5.436 -12.427 0.06 0.00 C ATOM 685 O GLU A 44 10.739 -4.453 -13.133 0.73 0.00 O ATOM 686 CB GLU A 44 9.493 -7.154 -13.492 1.00 0.00 C ATOM 687 CG GLU A 44 10.646 -7.847 -14.201 1.00 0.00 C ATOM 688 CD GLU A 44 10.231 -8.456 -15.526 0.74 0.00 C ATOM 689 OE1 GLU A 44 9.796 -9.628 -15.530 1.00 0.00 O ATOM 690 OE2 GLU A 44 10.338 -7.761 -16.559 0.11 0.00 O ATOM 0 H GLU A 44 7.965 -5.657 -12.183 0.16 0.00 H new ATOM 0 HA GLU A 44 10.294 -7.239 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.708 -7.884 -13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.069 -6.401 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.448 -7.129 -14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.048 -8.628 -13.556 1.00 0.00 H new ATOM 697 N GLY A 45 12.147 -5.650 -11.846 1.00 0.00 N ATOM 698 CA GLY A 45 13.245 -4.715 -12.027 0.50 0.00 C ATOM 699 C GLY A 45 13.630 -4.012 -10.739 0.46 0.00 C ATOM 700 O GLY A 45 14.408 -3.058 -10.755 1.00 0.00 O ATOM 0 H GLY A 45 12.360 -6.453 -11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.111 -5.249 -12.418 0.50 0.00 H new ATOM 0 HA3 GLY A 45 12.965 -3.971 -12.773 0.50 0.00 H new ATOM 704 N THR A 46 13.085 -4.484 -9.622 0.07 0.00 N ATOM 705 CA THR A 46 13.377 -3.896 -8.320 0.10 0.00 C ATOM 706 C THR A 46 13.887 -4.955 -7.347 0.09 0.00 C ATOM 707 O THR A 46 13.635 -6.144 -7.534 0.09 0.00 O ATOM 708 CB THR A 46 12.129 -3.223 -7.717 0.94 0.00 C ATOM 709 OG1 THR A 46 11.077 -4.183 -7.573 0.29 0.00 O ATOM 710 CG2 THR A 46 11.657 -2.075 -8.593 0.35 0.00 C ATOM 0 H THR A 46 12.438 -5.272 -9.593 0.07 0.00 H new ATOM 0 HA THR A 46 14.149 -3.142 -8.475 0.10 0.00 H new ATOM 0 HB THR A 46 12.395 -2.826 -6.737 0.94 0.00 H new ATOM 0 HG1 THR A 46 10.813 -4.514 -8.457 0.29 0.00 H new ATOM 0 HG21 THR A 46 10.775 -1.616 -8.147 0.35 0.00 H new ATOM 0 HG22 THR A 46 12.450 -1.332 -8.677 0.35 0.00 H new ATOM 0 HG23 THR A 46 11.407 -2.453 -9.584 0.35 0.00 H new ATOM 718 N PRO A 47 14.616 -4.542 -6.292 0.21 0.00 N ATOM 719 CA PRO A 47 15.143 -5.476 -5.292 0.25 0.00 C ATOM 720 C PRO A 47 14.031 -6.127 -4.474 0.17 0.00 C ATOM 721 O PRO A 47 14.291 -6.963 -3.608 0.11 0.00 O ATOM 722 CB PRO A 47 16.020 -4.594 -4.399 1.00 0.00 C ATOM 723 CG PRO A 47 15.485 -3.215 -4.578 0.12 0.00 C ATOM 724 CD PRO A 47 14.988 -3.146 -5.994 0.33 0.00 C ATOM 0 HA PRO A 47 15.685 -6.303 -5.752 0.25 0.00 H new ATOM 0 HB2 PRO A 47 15.963 -4.907 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.068 -4.652 -4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.680 -3.014 -3.871 0.12 0.00 H new ATOM 0 HG3 PRO A 47 16.260 -2.469 -4.399 0.12 0.00 H new ATOM 0 HD2 PRO A 47 14.135 -2.474 -6.089 0.33 0.00 H new ATOM 0 HD3 PRO A 47 15.758 -2.781 -6.673 0.33 0.00 H new ATOM 732 N PHE A 48 12.791 -5.732 -4.756 0.20 0.00 N ATOM 733 CA PHE A 48 11.633 -6.275 -4.054 0.26 0.00 C ATOM 734 C PHE A 48 10.918 -7.317 -4.910 0.14 0.00 C ATOM 735 O PHE A 48 10.000 -7.992 -4.445 0.09 0.00 O ATOM 736 CB PHE A 48 10.657 -5.152 -3.692 0.39 0.00 C ATOM 737 CG PHE A 48 11.307 -3.976 -3.023 0.25 0.00 C ATOM 738 CD1 PHE A 48 11.448 -3.936 -1.645 0.06 0.00 C ATOM 739 CD2 PHE A 48 11.772 -2.907 -3.772 1.00 0.00 C ATOM 740 CE1 PHE A 48 12.043 -2.853 -1.026 0.31 0.00 C ATOM 741 CE2 PHE A 48 12.367 -1.820 -3.159 0.69 0.00 C ATOM 742 CZ PHE A 48 12.503 -1.793 -1.784 0.79 0.00 C ATOM 0 H PHE A 48 12.564 -5.037 -5.467 0.20 0.00 H new ATOM 0 HA PHE A 48 11.987 -6.754 -3.141 0.26 0.00 H new ATOM 0 HB2 PHE A 48 10.157 -4.812 -4.599 0.39 0.00 H new ATOM 0 HB3 PHE A 48 9.886 -5.552 -3.034 0.39 0.00 H new ATOM 0 HD1 PHE A 48 11.089 -4.761 -1.048 0.06 0.00 H new ATOM 0 HD2 PHE A 48 11.668 -2.923 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.148 -2.835 0.049 0.31 0.00 H new ATOM 0 HE2 PHE A 48 12.725 -0.993 -3.754 0.69 0.00 H new ATOM 0 HZ PHE A 48 12.968 -0.945 -1.303 0.79 0.00 H new ATOM 752 N GLU A 49 11.342 -7.438 -6.166 1.00 0.00 N ATOM 753 CA GLU A 49 10.740 -8.393 -7.092 0.06 0.00 C ATOM 754 C GLU A 49 10.883 -9.825 -6.579 0.56 0.00 C ATOM 755 O GLU A 49 10.002 -10.660 -6.789 0.23 0.00 O ATOM 756 CB GLU A 49 11.374 -8.265 -8.481 0.25 0.00 C ATOM 757 CG GLU A 49 12.777 -8.841 -8.578 0.26 0.00 C ATOM 758 CD GLU A 49 13.368 -8.700 -9.967 0.61 0.00 C ATOM 759 OE1 GLU A 49 13.158 -9.611 -10.796 1.00 0.00 O ATOM 760 OE2 GLU A 49 14.039 -7.679 -10.227 0.14 0.00 O ATOM 0 H GLU A 49 12.101 -6.886 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 49 9.677 -8.162 -7.165 0.06 0.00 H new ATOM 0 HB2 GLU A 49 10.736 -8.767 -9.208 0.25 0.00 H new ATOM 0 HB3 GLU A 49 11.405 -7.211 -8.759 0.25 0.00 H new ATOM 0 HG2 GLU A 49 13.423 -8.338 -7.859 0.26 0.00 H new ATOM 0 HG3 GLU A 49 12.753 -9.895 -8.302 0.26 0.00 H new ATOM 767 N ASP A 50 11.996 -10.101 -5.905 0.05 0.00 N ATOM 768 CA ASP A 50 12.253 -11.433 -5.366 0.21 0.00 C ATOM 769 C ASP A 50 11.601 -11.608 -3.998 1.00 0.00 C ATOM 770 O ASP A 50 11.666 -12.685 -3.404 0.14 0.00 O ATOM 771 CB ASP A 50 13.759 -11.683 -5.261 0.72 0.00 C ATOM 772 CG ASP A 50 14.448 -11.643 -6.612 0.93 0.00 C ATOM 773 OD1 ASP A 50 14.483 -12.692 -7.289 0.29 0.00 O ATOM 774 OD2 ASP A 50 14.951 -10.565 -6.992 1.00 0.00 O ATOM 0 H ASP A 50 12.733 -9.421 -5.719 0.05 0.00 H new ATOM 0 HA ASP A 50 11.816 -12.161 -6.050 0.21 0.00 H new ATOM 0 HB2 ASP A 50 14.204 -10.933 -4.607 0.72 0.00 H new ATOM 0 HB3 ASP A 50 13.932 -12.654 -4.797 0.72 0.00 H new ATOM 779 N GLY A 51 10.973 -10.545 -3.505 0.78 0.00 N ATOM 780 CA GLY A 51 10.321 -10.604 -2.208 0.14 0.00 C ATOM 781 C GLY A 51 8.843 -10.273 -2.279 0.05 0.00 C ATOM 782 O GLY A 51 8.323 -9.944 -3.346 0.12 0.00 O ATOM 0 H GLY A 51 10.904 -9.645 -3.979 0.78 0.00 H new ATOM 0 HA2 GLY A 51 10.446 -11.602 -1.789 0.14 0.00 H new ATOM 0 HA3 GLY A 51 10.812 -9.909 -1.527 0.14 0.00 H new ATOM 786 N THR A 52 8.166 -10.362 -1.138 0.24 0.00 N ATOM 787 CA THR A 52 6.739 -10.067 -1.066 0.93 0.00 C ATOM 788 C THR A 52 6.413 -9.235 0.169 0.05 0.00 C ATOM 789 O THR A 52 7.125 -9.290 1.173 0.50 0.00 O ATOM 790 CB THR A 52 5.898 -11.357 -1.036 0.27 0.00 C ATOM 791 OG1 THR A 52 6.217 -12.123 0.131 0.15 0.00 O ATOM 792 CG2 THR A 52 6.147 -12.196 -2.280 0.17 0.00 C ATOM 0 H THR A 52 8.584 -10.637 -0.249 0.24 0.00 H new ATOM 0 HA THR A 52 6.488 -9.500 -1.962 0.93 0.00 H new ATOM 0 HB THR A 52 4.845 -11.076 -1.011 0.27 0.00 H new ATOM 0 HG1 THR A 52 6.375 -13.056 -0.123 0.15 0.00 H new ATOM 0 HG21 THR A 52 5.542 -13.101 -2.235 0.17 0.00 H new ATOM 0 HG22 THR A 52 5.876 -11.622 -3.166 0.17 0.00 H new ATOM 0 HG23 THR A 52 7.202 -12.467 -2.331 0.17 0.00 H new ATOM 800 N PHE A 53 5.334 -8.464 0.087 0.18 0.00 N ATOM 801 CA PHE A 53 4.911 -7.619 1.200 1.00 0.00 C ATOM 802 C PHE A 53 3.397 -7.669 1.385 0.94 0.00 C ATOM 803 O PHE A 53 2.653 -7.931 0.440 0.93 0.00 O ATOM 804 CB PHE A 53 5.360 -6.175 0.969 1.00 0.00 C ATOM 805 CG PHE A 53 6.833 -5.962 1.174 0.20 0.00 C ATOM 806 CD1 PHE A 53 7.728 -6.161 0.135 0.24 0.00 C ATOM 807 CD2 PHE A 53 7.321 -5.564 2.407 0.32 0.00 C ATOM 808 CE1 PHE A 53 9.083 -5.967 0.323 0.70 0.00 C ATOM 809 CE2 PHE A 53 8.676 -5.369 2.602 1.00 0.00 C ATOM 810 CZ PHE A 53 9.558 -5.570 1.557 0.53 0.00 C ATOM 0 H PHE A 53 4.736 -8.406 -0.737 0.18 0.00 H new ATOM 0 HA PHE A 53 5.379 -8.000 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.097 -5.880 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.809 -5.520 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.362 -6.471 -0.833 0.24 0.00 H new ATOM 0 HD2 PHE A 53 6.635 -5.404 3.226 0.32 0.00 H new ATOM 0 HE1 PHE A 53 9.770 -6.126 -0.495 0.70 0.00 H new ATOM 0 HE2 PHE A 53 9.044 -5.060 3.569 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.617 -5.417 1.705 0.53 0.00 H new ATOM 820 N LYS A 54 2.950 -7.415 2.611 0.08 0.00 N ATOM 821 CA LYS A 54 1.527 -7.426 2.928 0.13 0.00 C ATOM 822 C LYS A 54 1.120 -6.134 3.629 0.45 0.00 C ATOM 823 O LYS A 54 1.931 -5.505 4.309 1.00 0.00 O ATOM 824 CB LYS A 54 1.189 -8.629 3.812 0.36 0.00 C ATOM 825 CG LYS A 54 1.478 -9.970 3.156 1.00 0.00 C ATOM 826 CD LYS A 54 1.182 -11.130 4.094 0.71 0.00 C ATOM 827 CE LYS A 54 -0.300 -11.224 4.421 0.34 0.00 C ATOM 828 NZ LYS A 54 -0.596 -12.354 5.344 0.15 0.00 N ATOM 0 H LYS A 54 3.555 -7.198 3.403 0.08 0.00 H new ATOM 0 HA LYS A 54 0.971 -7.504 1.994 0.13 0.00 H new ATOM 0 HB2 LYS A 54 1.757 -8.558 4.739 0.36 0.00 H new ATOM 0 HB3 LYS A 54 0.134 -8.586 4.081 0.36 0.00 H new ATOM 0 HG2 LYS A 54 0.877 -10.070 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.523 -10.007 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.514 -12.062 3.636 0.71 0.00 H new ATOM 0 HD3 LYS A 54 1.751 -11.007 5.016 0.71 0.00 H new ATOM 0 HE2 LYS A 54 -0.632 -10.290 4.874 0.34 0.00 H new ATOM 0 HE3 LYS A 54 -0.868 -11.351 3.499 0.34 0.00 H new ATOM 0 HZ1 LYS A 54 -1.617 -12.383 5.541 0.15 0.00 H new ATOM 0 HZ2 LYS A 54 -0.303 -13.249 4.902 0.15 0.00 H new ATOM 0 HZ3 LYS A 54 -0.075 -12.221 6.234 0.15 0.00 H new ATOM 842 N LEU A 55 -0.139 -5.744 3.461 0.48 0.00 N ATOM 843 CA LEU A 55 -0.650 -4.524 4.078 0.14 0.00 C ATOM 844 C LEU A 55 -2.165 -4.586 4.246 1.00 0.00 C ATOM 845 O LEU A 55 -2.853 -5.289 3.505 1.00 0.00 O ATOM 846 CB LEU A 55 -0.234 -3.285 3.260 0.17 0.00 C ATOM 847 CG LEU A 55 -0.859 -3.120 1.859 0.60 0.00 C ATOM 848 CD1 LEU A 55 -0.880 -4.433 1.089 0.37 0.00 C ATOM 849 CD2 LEU A 55 -2.258 -2.530 1.955 0.36 0.00 C ATOM 0 H LEU A 55 -0.824 -6.254 2.903 0.48 0.00 H new ATOM 0 HA LEU A 55 -0.210 -4.438 5.072 0.14 0.00 H new ATOM 0 HB2 LEU A 55 -0.477 -2.398 3.844 0.17 0.00 H new ATOM 0 HB3 LEU A 55 0.850 -3.304 3.146 0.17 0.00 H new ATOM 0 HG LEU A 55 -0.228 -2.426 1.304 0.60 0.00 H new ATOM 0 HD11 LEU A 55 -1.328 -4.273 0.108 0.37 0.00 H new ATOM 0 HD12 LEU A 55 0.139 -4.800 0.967 0.37 0.00 H new ATOM 0 HD13 LEU A 55 -1.466 -5.168 1.640 0.37 0.00 H new ATOM 0 HD21 LEU A 55 -2.677 -2.423 0.955 0.36 0.00 H new ATOM 0 HD22 LEU A 55 -2.892 -3.191 2.546 0.36 0.00 H new ATOM 0 HD23 LEU A 55 -2.208 -1.552 2.434 0.36 0.00 H new ATOM 861 N VAL A 56 -2.678 -3.846 5.227 0.08 0.00 N ATOM 862 CA VAL A 56 -4.111 -3.818 5.503 0.20 0.00 C ATOM 863 C VAL A 56 -4.711 -2.450 5.187 0.06 0.00 C ATOM 864 O VAL A 56 -4.049 -1.423 5.335 0.32 0.00 O ATOM 865 CB VAL A 56 -4.399 -4.172 6.978 1.00 0.00 C ATOM 866 CG1 VAL A 56 -3.707 -3.190 7.910 0.25 0.00 C ATOM 867 CG2 VAL A 56 -5.897 -4.205 7.242 0.06 0.00 C ATOM 0 H VAL A 56 -2.120 -3.257 5.845 0.08 0.00 H new ATOM 0 HA VAL A 56 -4.575 -4.565 4.858 0.20 0.00 H new ATOM 0 HB VAL A 56 -3.999 -5.167 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.922 -3.457 8.945 0.25 0.00 H new ATOM 0 HG12 VAL A 56 -2.631 -3.226 7.743 0.25 0.00 H new ATOM 0 HG13 VAL A 56 -4.071 -2.182 7.712 0.25 0.00 H new ATOM 0 HG21 VAL A 56 -6.077 -4.456 8.287 0.06 0.00 H new ATOM 0 HG22 VAL A 56 -6.326 -3.227 7.025 0.06 0.00 H new ATOM 0 HG23 VAL A 56 -6.363 -4.955 6.603 0.06 0.00 H new ATOM 877 N ILE A 57 -5.968 -2.445 4.747 0.50 0.00 N ATOM 878 CA ILE A 57 -6.656 -1.204 4.411 0.18 0.00 C ATOM 879 C ILE A 57 -7.892 -1.006 5.285 1.00 0.00 C ATOM 880 O ILE A 57 -8.864 -1.755 5.183 0.11 0.00 O ATOM 881 CB ILE A 57 -7.087 -1.173 2.928 0.09 0.00 C ATOM 882 CG1 ILE A 57 -5.897 -1.464 2.009 0.76 0.00 C ATOM 883 CG2 ILE A 57 -7.704 0.173 2.584 0.05 0.00 C ATOM 884 CD1 ILE A 57 -5.637 -2.941 1.803 1.00 0.00 C ATOM 0 H ILE A 57 -6.529 -3.287 4.616 0.50 0.00 H new ATOM 0 HA ILE A 57 -5.946 -0.397 4.592 0.18 0.00 H new ATOM 0 HB ILE A 57 -7.835 -1.950 2.774 0.09 0.00 H new ATOM 0 HG12 ILE A 57 -6.074 -0.996 1.040 0.76 0.00 H new ATOM 0 HG13 ILE A 57 -5.003 -1.001 2.428 0.76 0.00 H new ATOM 0 HG21 ILE A 57 -8.003 0.179 1.536 0.05 0.00 H new ATOM 0 HG22 ILE A 57 -8.579 0.343 3.211 0.05 0.00 H new ATOM 0 HG23 ILE A 57 -6.974 0.963 2.758 0.05 0.00 H new ATOM 0 HD11 ILE A 57 -4.780 -3.071 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.428 -3.411 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.515 -3.406 1.355 1.00 0.00 H new ATOM 896 N GLU A 58 -7.848 0.007 6.146 1.00 0.00 N ATOM 897 CA GLU A 58 -8.967 0.309 7.031 0.19 0.00 C ATOM 898 C GLU A 58 -9.799 1.459 6.470 1.00 0.00 C ATOM 899 O GLU A 58 -9.277 2.540 6.201 0.47 0.00 O ATOM 900 CB GLU A 58 -8.460 0.666 8.431 1.00 0.00 C ATOM 901 CG GLU A 58 -9.573 0.939 9.431 0.06 0.00 C ATOM 902 CD GLU A 58 -9.046 1.337 10.796 0.08 0.00 C ATOM 903 OE1 GLU A 58 -8.694 0.434 11.582 0.11 0.00 O ATOM 904 OE2 GLU A 58 -8.986 2.552 11.077 0.10 0.00 O ATOM 0 H GLU A 58 -7.049 0.632 6.249 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.597 -0.578 7.099 0.19 0.00 H new ATOM 0 HB2 GLU A 58 -7.841 -0.150 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.820 1.546 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.214 1.733 9.048 0.06 0.00 H new ATOM 0 HG3 GLU A 58 -10.193 0.048 9.531 0.06 0.00 H new ATOM 911 N PHE A 59 -11.094 1.217 6.296 1.00 0.00 N ATOM 912 CA PHE A 59 -11.997 2.232 5.764 0.12 0.00 C ATOM 913 C PHE A 59 -12.822 2.869 6.877 0.20 0.00 C ATOM 914 O PHE A 59 -13.187 2.206 7.848 0.11 0.00 O ATOM 915 CB PHE A 59 -12.927 1.617 4.717 0.61 0.00 C ATOM 916 CG PHE A 59 -12.208 1.073 3.517 0.10 0.00 C ATOM 917 CD1 PHE A 59 -11.934 1.886 2.429 0.57 0.00 C ATOM 918 CD2 PHE A 59 -11.810 -0.254 3.473 1.00 0.00 C ATOM 919 CE1 PHE A 59 -11.276 1.387 1.320 1.00 0.00 C ATOM 920 CE2 PHE A 59 -11.152 -0.759 2.367 0.09 0.00 C ATOM 921 CZ PHE A 59 -10.885 0.064 1.289 0.23 0.00 C ATOM 0 H PHE A 59 -11.542 0.327 6.515 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.392 3.008 5.296 0.12 0.00 H new ATOM 0 HB2 PHE A 59 -13.501 0.815 5.180 0.61 0.00 H new ATOM 0 HB3 PHE A 59 -13.642 2.372 4.390 0.61 0.00 H new ATOM 0 HD1 PHE A 59 -12.238 2.922 2.447 0.57 0.00 H new ATOM 0 HD2 PHE A 59 -12.016 -0.901 4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.068 2.032 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.847 -1.795 2.345 0.09 0.00 H new ATOM 0 HZ PHE A 59 -10.371 -0.328 0.424 0.23 0.00 H new ATOM 931 N SER A 60 -13.114 4.157 6.728 0.09 0.00 N ATOM 932 CA SER A 60 -13.900 4.883 7.718 0.08 0.00 C ATOM 933 C SER A 60 -15.360 4.966 7.285 0.54 0.00 C ATOM 934 O SER A 60 -15.658 5.162 6.107 0.73 0.00 O ATOM 935 CB SER A 60 -13.335 6.290 7.924 1.00 0.00 C ATOM 936 OG SER A 60 -13.365 7.034 6.718 0.06 0.00 O ATOM 0 H SER A 60 -12.818 4.719 5.930 0.09 0.00 H new ATOM 0 HA SER A 60 -13.844 4.341 8.662 0.08 0.00 H new ATOM 0 HB2 SER A 60 -13.913 6.809 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.310 6.224 8.289 1.00 0.00 H new ATOM 0 HG SER A 60 -13.000 7.930 6.877 0.06 0.00 H new ATOM 942 N GLU A 61 -16.268 4.819 8.245 0.13 0.00 N ATOM 943 CA GLU A 61 -17.697 4.873 7.960 0.53 0.00 C ATOM 944 C GLU A 61 -18.148 6.301 7.663 0.23 0.00 C ATOM 945 O GLU A 61 -19.330 6.550 7.426 1.00 0.00 O ATOM 946 CB GLU A 61 -18.494 4.306 9.136 1.00 0.00 C ATOM 947 CG GLU A 61 -18.315 5.088 10.428 0.68 0.00 C ATOM 948 CD GLU A 61 -19.150 4.534 11.564 0.10 0.00 C ATOM 949 OE1 GLU A 61 -20.328 4.932 11.683 0.17 0.00 O ATOM 950 OE2 GLU A 61 -18.627 3.704 12.337 1.00 0.00 O ATOM 0 H GLU A 61 -16.039 4.662 9.226 0.13 0.00 H new ATOM 0 HA GLU A 61 -17.885 4.266 7.074 0.53 0.00 H new ATOM 0 HB2 GLU A 61 -19.552 4.292 8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.193 3.272 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.263 5.074 10.714 0.68 0.00 H new ATOM 0 HG3 GLU A 61 -18.585 6.130 10.258 0.68 0.00 H new ATOM 957 N GLU A 62 -17.201 7.235 7.680 1.00 0.00 N ATOM 958 CA GLU A 62 -17.505 8.636 7.407 0.23 0.00 C ATOM 959 C GLU A 62 -18.092 8.799 6.009 0.61 0.00 C ATOM 960 O GLU A 62 -19.308 8.887 5.844 1.00 0.00 O ATOM 961 CB GLU A 62 -16.245 9.492 7.548 0.26 0.00 C ATOM 962 CG GLU A 62 -15.794 9.681 8.988 0.37 0.00 C ATOM 963 CD GLU A 62 -16.808 10.438 9.822 1.00 0.00 C ATOM 964 OE1 GLU A 62 -16.746 11.685 9.844 1.00 0.00 O ATOM 965 OE2 GLU A 62 -17.664 9.784 10.454 0.14 0.00 O ATOM 0 H GLU A 62 -16.218 7.047 7.880 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.244 8.971 8.135 0.23 0.00 H new ATOM 0 HB2 GLU A 62 -15.437 9.030 6.981 0.26 0.00 H new ATOM 0 HB3 GLU A 62 -16.429 10.470 7.102 0.26 0.00 H new ATOM 0 HG2 GLU A 62 -15.614 8.705 9.439 0.37 0.00 H new ATOM 0 HG3 GLU A 62 -14.846 10.218 9.000 0.37 0.00 H new ATOM 972 N TYR A 63 -17.219 8.837 5.006 0.40 0.00 N ATOM 973 CA TYR A 63 -17.647 8.983 3.619 1.00 0.00 C ATOM 974 C TYR A 63 -16.682 8.263 2.677 0.96 0.00 C ATOM 975 O TYR A 63 -15.501 8.110 2.991 1.00 0.00 O ATOM 976 CB TYR A 63 -17.745 10.463 3.243 1.00 0.00 C ATOM 977 CG TYR A 63 -18.899 11.185 3.901 0.12 0.00 C ATOM 978 CD1 TYR A 63 -20.209 10.945 3.505 0.98 0.00 C ATOM 979 CD2 TYR A 63 -18.678 12.108 4.916 0.10 0.00 C ATOM 980 CE1 TYR A 63 -21.267 11.604 4.103 1.00 0.00 C ATOM 981 CE2 TYR A 63 -19.732 12.770 5.519 0.10 0.00 C ATOM 982 CZ TYR A 63 -21.023 12.514 5.109 1.00 0.00 C ATOM 983 OH TYR A 63 -22.074 13.173 5.705 0.05 0.00 O ATOM 0 H TYR A 63 -16.209 8.768 5.129 0.40 0.00 H new ATOM 0 HA TYR A 63 -18.633 8.529 3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.814 10.960 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -17.845 10.547 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -20.404 10.232 2.717 0.98 0.00 H new ATOM 0 HD2 TYR A 63 -17.668 12.312 5.239 0.10 0.00 H new ATOM 0 HE1 TYR A 63 -22.280 11.407 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.545 13.484 6.307 0.10 0.00 H new ATOM 0 HH TYR A 63 -21.731 13.778 6.395 0.05 0.00 H new ATOM 993 N PRO A 64 -17.170 7.811 1.508 0.70 0.00 N ATOM 994 CA PRO A 64 -16.345 7.098 0.528 0.08 0.00 C ATOM 995 C PRO A 64 -15.289 7.990 -0.120 1.00 0.00 C ATOM 996 O PRO A 64 -14.420 7.505 -0.845 0.95 0.00 O ATOM 997 CB PRO A 64 -17.351 6.618 -0.530 0.81 0.00 C ATOM 998 CG PRO A 64 -18.699 6.809 0.082 0.30 0.00 C ATOM 999 CD PRO A 64 -18.558 7.951 1.044 1.00 0.00 C ATOM 0 HA PRO A 64 -15.786 6.291 1.001 0.08 0.00 H new ATOM 0 HB2 PRO A 64 -17.254 7.192 -1.452 0.81 0.00 H new ATOM 0 HB3 PRO A 64 -17.181 5.572 -0.786 0.81 0.00 H new ATOM 0 HG2 PRO A 64 -19.446 7.031 -0.680 0.30 0.00 H new ATOM 0 HG3 PRO A 64 -19.026 5.905 0.595 0.30 0.00 H new ATOM 0 HD2 PRO A 64 -18.728 8.912 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -19.270 7.878 1.867 1.00 0.00 H new ATOM 1007 N ASN A 65 -15.362 9.293 0.144 0.12 0.00 N ATOM 1008 CA ASN A 65 -14.405 10.236 -0.427 1.00 0.00 C ATOM 1009 C ASN A 65 -13.398 10.709 0.618 0.17 0.00 C ATOM 1010 O ASN A 65 -12.457 11.437 0.298 0.77 0.00 O ATOM 1011 CB ASN A 65 -15.129 11.439 -1.038 0.82 0.00 C ATOM 1012 CG ASN A 65 -15.817 12.301 0.003 0.83 0.00 C ATOM 1013 OD1 ASN A 65 -16.221 11.817 1.058 0.09 0.00 O ATOM 1014 ND2 ASN A 65 -15.954 13.590 -0.293 0.21 0.00 N ATOM 0 H ASN A 65 -16.069 9.717 0.745 0.12 0.00 H new ATOM 0 HA ASN A 65 -13.860 9.714 -1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.412 12.047 -1.590 0.82 0.00 H new ATOM 0 HB3 ASN A 65 -15.868 11.086 -1.757 0.82 0.00 H new ATOM 0 HD21 ASN A 65 -16.410 14.219 0.368 0.21 0.00 H new ATOM 0 HD22 ASN A 65 -15.604 13.949 -1.181 0.21 0.00 H new ATOM 1021 N LYS A 66 -13.595 10.295 1.866 1.00 0.00 N ATOM 1022 CA LYS A 66 -12.693 10.680 2.946 0.36 0.00 C ATOM 1023 C LYS A 66 -11.357 9.944 2.828 0.35 0.00 C ATOM 1024 O LYS A 66 -11.305 8.820 2.327 0.06 0.00 O ATOM 1025 CB LYS A 66 -13.330 10.393 4.307 0.07 0.00 C ATOM 1026 CG LYS A 66 -14.420 11.382 4.693 0.89 0.00 C ATOM 1027 CD LYS A 66 -13.857 12.778 4.909 0.59 0.00 C ATOM 1028 CE LYS A 66 -14.923 13.738 5.410 0.32 0.00 C ATOM 1029 NZ LYS A 66 -15.483 13.310 6.721 0.56 0.00 N ATOM 0 H LYS A 66 -14.368 9.695 2.154 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.508 11.751 2.863 0.36 0.00 H new ATOM 0 HB2 LYS A 66 -13.751 9.388 4.296 0.07 0.00 H new ATOM 0 HB3 LYS A 66 -12.553 10.405 5.072 0.07 0.00 H new ATOM 0 HG2 LYS A 66 -15.179 11.412 3.911 0.89 0.00 H new ATOM 0 HG3 LYS A 66 -14.914 11.043 5.604 0.89 0.00 H new ATOM 0 HD2 LYS A 66 -13.039 12.734 5.628 0.59 0.00 H new ATOM 0 HD3 LYS A 66 -13.440 13.152 3.974 0.59 0.00 H new ATOM 0 HE2 LYS A 66 -14.496 14.736 5.506 0.32 0.00 H new ATOM 0 HE3 LYS A 66 -15.726 13.804 4.676 0.32 0.00 H new ATOM 0 HZ1 LYS A 66 -15.950 14.118 7.179 0.56 0.00 H new ATOM 0 HZ2 LYS A 66 -16.176 12.549 6.571 0.56 0.00 H new ATOM 0 HZ3 LYS A 66 -14.715 12.963 7.330 0.56 0.00 H new ATOM 1043 N PRO A 67 -10.257 10.571 3.290 1.00 0.00 N ATOM 1044 CA PRO A 67 -8.917 9.969 3.229 1.00 0.00 C ATOM 1045 C PRO A 67 -8.857 8.606 3.921 1.00 0.00 C ATOM 1046 O PRO A 67 -8.975 8.522 5.143 0.43 0.00 O ATOM 1047 CB PRO A 67 -8.036 10.977 3.972 0.20 0.00 C ATOM 1048 CG PRO A 67 -8.771 12.268 3.879 1.00 0.00 C ATOM 1049 CD PRO A 67 -10.229 11.911 3.906 0.14 0.00 C ATOM 0 HA PRO A 67 -8.605 9.783 2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.886 10.681 5.010 0.20 0.00 H new ATOM 0 HB3 PRO A 67 -7.049 11.051 3.516 0.20 0.00 H new ATOM 0 HG2 PRO A 67 -8.514 12.925 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.515 12.799 2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.621 11.895 4.923 0.14 0.00 H new ATOM 0 HD3 PRO A 67 -10.830 12.626 3.343 0.14 0.00 H new ATOM 1057 N PRO A 68 -8.674 7.514 3.148 0.35 0.00 N ATOM 1058 CA PRO A 68 -8.600 6.158 3.706 1.00 0.00 C ATOM 1059 C PRO A 68 -7.401 5.975 4.632 0.05 0.00 C ATOM 1060 O PRO A 68 -6.652 6.917 4.892 0.20 0.00 O ATOM 1061 CB PRO A 68 -8.461 5.256 2.472 0.45 0.00 C ATOM 1062 CG PRO A 68 -8.888 6.098 1.317 0.13 0.00 C ATOM 1063 CD PRO A 68 -8.532 7.510 1.683 0.11 0.00 C ATOM 0 HA PRO A 68 -9.474 5.930 4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.434 4.913 2.350 0.45 0.00 H new ATOM 0 HB3 PRO A 68 -9.085 4.367 2.563 0.45 0.00 H new ATOM 0 HG2 PRO A 68 -8.381 5.792 0.402 0.13 0.00 H new ATOM 0 HG3 PRO A 68 -9.958 5.999 1.136 0.13 0.00 H new ATOM 0 HD2 PRO A 68 -7.518 7.764 1.374 0.11 0.00 H new ATOM 0 HD3 PRO A 68 -9.199 8.231 1.210 0.11 0.00 H new ATOM 1071 N THR A 69 -7.227 4.752 5.124 0.24 0.00 N ATOM 1072 CA THR A 69 -6.128 4.433 6.025 0.09 0.00 C ATOM 1073 C THR A 69 -5.404 3.176 5.561 1.00 0.00 C ATOM 1074 O THR A 69 -5.985 2.091 5.531 0.07 0.00 O ATOM 1075 CB THR A 69 -6.620 4.225 7.469 0.45 0.00 C ATOM 1076 OG1 THR A 69 -7.398 5.352 7.890 1.00 0.00 O ATOM 1077 CG2 THR A 69 -5.448 4.031 8.420 0.39 0.00 C ATOM 0 H THR A 69 -7.837 3.963 4.912 0.24 0.00 H new ATOM 0 HA THR A 69 -5.443 5.281 6.008 0.09 0.00 H new ATOM 0 HB THR A 69 -7.238 3.327 7.491 0.45 0.00 H new ATOM 0 HG1 THR A 69 -7.708 5.210 8.809 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.822 3.886 9.434 0.39 0.00 H new ATOM 0 HG22 THR A 69 -4.874 3.155 8.116 0.39 0.00 H new ATOM 0 HG23 THR A 69 -4.807 4.912 8.392 0.39 0.00 H new ATOM 1085 N VAL A 70 -4.138 3.326 5.197 0.33 0.00 N ATOM 1086 CA VAL A 70 -3.343 2.200 4.724 0.31 0.00 C ATOM 1087 C VAL A 70 -1.939 2.229 5.320 0.85 0.00 C ATOM 1088 O VAL A 70 -1.345 3.295 5.481 0.64 0.00 O ATOM 1089 CB VAL A 70 -3.245 2.201 3.188 0.34 0.00 C ATOM 1090 CG1 VAL A 70 -2.446 1.005 2.695 0.92 0.00 C ATOM 1091 CG2 VAL A 70 -4.630 2.217 2.564 0.05 0.00 C ATOM 0 H VAL A 70 -3.639 4.215 5.220 0.33 0.00 H new ATOM 0 HA VAL A 70 -3.847 1.290 5.049 0.31 0.00 H new ATOM 0 HB VAL A 70 -2.721 3.106 2.882 0.34 0.00 H new ATOM 0 HG11 VAL A 70 -2.391 1.028 1.607 0.92 0.00 H new ATOM 0 HG12 VAL A 70 -1.439 1.044 3.110 0.92 0.00 H new ATOM 0 HG13 VAL A 70 -2.935 0.084 3.014 0.92 0.00 H new ATOM 0 HG21 VAL A 70 -4.540 2.218 1.478 0.05 0.00 H new ATOM 0 HG22 VAL A 70 -5.182 1.333 2.882 0.05 0.00 H new ATOM 0 HG23 VAL A 70 -5.163 3.112 2.884 0.05 0.00 H new ATOM 1101 N ARG A 71 -1.414 1.050 5.645 0.07 0.00 N ATOM 1102 CA ARG A 71 -0.081 0.938 6.226 0.16 0.00 C ATOM 1103 C ARG A 71 0.398 -0.511 6.235 0.55 0.00 C ATOM 1104 O ARG A 71 -0.388 -1.434 6.452 0.78 0.00 O ATOM 1105 CB ARG A 71 -0.083 1.489 7.653 0.19 0.00 C ATOM 1106 CG ARG A 71 -1.144 0.860 8.541 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.123 1.452 9.940 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.212 0.939 10.766 0.91 0.00 N ATOM 1109 CZ ARG A 71 -2.281 1.106 12.083 0.06 0.00 C ATOM 1110 NH1 ARG A 71 -1.324 1.763 12.723 0.47 0.00 N ATOM 1111 NH2 ARG A 71 -3.309 0.613 12.761 1.00 0.00 N ATOM 0 H ARG A 71 -1.893 0.159 5.515 0.07 0.00 H new ATOM 0 HA ARG A 71 0.604 1.522 5.611 0.16 0.00 H new ATOM 0 HB2 ARG A 71 0.898 1.325 8.099 0.19 0.00 H new ATOM 0 HB3 ARG A 71 -0.241 2.567 7.618 0.19 0.00 H new ATOM 0 HG2 ARG A 71 -2.128 1.010 8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.981 -0.216 8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.169 1.225 10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.197 2.538 9.876 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.962 0.423 10.307 0.91 0.00 H new ATOM 0 HH11 ARG A 71 -0.531 2.142 12.205 0.47 0.00 H new ATOM 0 HH12 ARG A 71 -1.380 1.889 13.734 0.47 0.00 H new ATOM 0 HH21 ARG A 71 -4.046 0.106 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.362 0.741 13.772 1.00 0.00 H new ATOM 1125 N PHE A 72 1.691 -0.701 5.995 1.00 0.00 N ATOM 1126 CA PHE A 72 2.281 -2.036 5.983 0.09 0.00 C ATOM 1127 C PHE A 72 2.364 -2.608 7.394 1.00 0.00 C ATOM 1128 O PHE A 72 2.998 -2.024 8.273 0.15 0.00 O ATOM 1129 CB PHE A 72 3.684 -1.994 5.371 0.09 0.00 C ATOM 1130 CG PHE A 72 3.696 -1.870 3.875 0.28 0.00 C ATOM 1131 CD1 PHE A 72 3.436 -0.655 3.263 0.47 0.00 C ATOM 1132 CD2 PHE A 72 3.972 -2.971 3.080 0.06 0.00 C ATOM 1133 CE1 PHE A 72 3.452 -0.540 1.885 0.17 0.00 C ATOM 1134 CE2 PHE A 72 3.992 -2.864 1.704 1.00 0.00 C ATOM 1135 CZ PHE A 72 3.730 -1.646 1.105 1.00 0.00 C ATOM 0 H PHE A 72 2.352 0.053 5.806 1.00 0.00 H new ATOM 0 HA PHE A 72 1.640 -2.678 5.379 0.09 0.00 H new ATOM 0 HB2 PHE A 72 4.231 -1.154 5.799 0.09 0.00 H new ATOM 0 HB3 PHE A 72 4.220 -2.900 5.654 0.09 0.00 H new ATOM 0 HD1 PHE A 72 3.218 0.212 3.869 0.47 0.00 H new ATOM 0 HD2 PHE A 72 4.174 -3.925 3.543 0.06 0.00 H new ATOM 0 HE1 PHE A 72 3.248 0.413 1.419 0.17 0.00 H new ATOM 0 HE2 PHE A 72 4.212 -3.730 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.743 -1.559 0.029 1.00 0.00 H new ATOM 1145 N LEU A 73 1.720 -3.752 7.607 0.18 0.00 N ATOM 1146 CA LEU A 73 1.738 -4.401 8.913 0.21 0.00 C ATOM 1147 C LEU A 73 3.107 -5.016 9.178 0.09 0.00 C ATOM 1148 O LEU A 73 3.540 -5.128 10.326 1.00 0.00 O ATOM 1149 CB LEU A 73 0.657 -5.482 8.992 0.10 0.00 C ATOM 1150 CG LEU A 73 -0.784 -4.967 8.972 0.34 0.00 C ATOM 1151 CD1 LEU A 73 -1.763 -6.131 8.948 0.30 0.00 C ATOM 1152 CD2 LEU A 73 -1.051 -4.075 10.177 0.14 0.00 C ATOM 0 H LEU A 73 1.182 -4.246 6.895 0.18 0.00 H new ATOM 0 HA LEU A 73 1.534 -3.647 9.673 0.21 0.00 H new ATOM 0 HB2 LEU A 73 0.792 -6.169 8.157 0.10 0.00 H new ATOM 0 HB3 LEU A 73 0.807 -6.057 9.906 0.10 0.00 H new ATOM 0 HG LEU A 73 -0.925 -4.375 8.068 0.34 0.00 H new ATOM 0 HD11 LEU A 73 -2.783 -5.748 8.934 0.30 0.00 H new ATOM 0 HD12 LEU A 73 -1.589 -6.734 8.057 0.30 0.00 H new ATOM 0 HD13 LEU A 73 -1.619 -6.746 9.836 0.30 0.00 H new ATOM 0 HD21 LEU A 73 -2.081 -3.719 10.145 0.14 0.00 H new ATOM 0 HD22 LEU A 73 -0.892 -4.644 11.093 0.14 0.00 H new ATOM 0 HD23 LEU A 73 -0.371 -3.223 10.157 0.14 0.00 H new ATOM 1164 N SER A 74 3.783 -5.413 8.104 0.12 0.00 N ATOM 1165 CA SER A 74 5.108 -6.012 8.205 0.11 0.00 C ATOM 1166 C SER A 74 6.184 -4.935 8.274 0.12 0.00 C ATOM 1167 O SER A 74 5.909 -3.755 8.056 0.33 0.00 O ATOM 1168 CB SER A 74 5.365 -6.931 7.009 0.85 0.00 C ATOM 1169 OG SER A 74 5.152 -6.249 5.786 0.36 0.00 O ATOM 0 H SER A 74 3.432 -5.330 7.150 0.12 0.00 H new ATOM 0 HA SER A 74 5.148 -6.600 9.122 0.11 0.00 H new ATOM 0 HB2 SER A 74 6.388 -7.305 7.047 0.85 0.00 H new ATOM 0 HB3 SER A 74 4.707 -7.798 7.065 0.85 0.00 H new ATOM 0 HG SER A 74 5.008 -6.901 5.069 0.36 0.00 H new ATOM 1175 N LYS A 75 7.411 -5.347 8.582 0.16 0.00 N ATOM 1176 CA LYS A 75 8.527 -4.413 8.676 0.36 0.00 C ATOM 1177 C LYS A 75 9.038 -4.045 7.286 1.00 0.00 C ATOM 1178 O LYS A 75 9.425 -4.918 6.508 0.51 0.00 O ATOM 1179 CB LYS A 75 9.660 -5.021 9.507 0.18 0.00 C ATOM 1180 CG LYS A 75 10.805 -4.058 9.790 0.15 0.00 C ATOM 1181 CD LYS A 75 10.579 -3.268 11.072 0.42 0.00 C ATOM 1182 CE LYS A 75 9.586 -2.131 10.871 1.00 0.00 C ATOM 1183 NZ LYS A 75 10.031 -1.187 9.810 1.00 0.00 N ATOM 0 H LYS A 75 7.656 -6.319 8.770 0.16 0.00 H new ATOM 0 HA LYS A 75 8.175 -3.507 9.168 0.36 0.00 H new ATOM 0 HB2 LYS A 75 9.253 -5.374 10.455 0.18 0.00 H new ATOM 0 HB3 LYS A 75 10.053 -5.893 8.984 0.18 0.00 H new ATOM 0 HG2 LYS A 75 11.738 -4.616 9.867 0.15 0.00 H new ATOM 0 HG3 LYS A 75 10.915 -3.368 8.953 0.15 0.00 H new ATOM 0 HD2 LYS A 75 10.212 -3.937 11.851 0.42 0.00 H new ATOM 0 HD3 LYS A 75 11.529 -2.863 11.421 0.42 0.00 H new ATOM 0 HE2 LYS A 75 8.612 -2.542 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.459 -1.590 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.363 -0.392 9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.979 -0.827 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.062 -1.682 8.896 1.00 0.00 H new ATOM 1197 N MET A 76 9.037 -2.750 6.980 0.09 0.00 N ATOM 1198 CA MET A 76 9.499 -2.277 5.679 0.08 0.00 C ATOM 1199 C MET A 76 10.302 -0.985 5.807 0.75 0.00 C ATOM 1200 O MET A 76 10.253 -0.307 6.834 1.00 0.00 O ATOM 1201 CB MET A 76 8.308 -2.066 4.737 0.10 0.00 C ATOM 1202 CG MET A 76 7.154 -1.294 5.361 0.17 0.00 C ATOM 1203 SD MET A 76 7.520 0.456 5.591 1.00 0.00 S ATOM 1204 CE MET A 76 5.979 1.038 6.292 0.17 0.00 C ATOM 0 H MET A 76 8.723 -2.013 7.612 0.09 0.00 H new ATOM 0 HA MET A 76 10.155 -3.040 5.261 0.08 0.00 H new ATOM 0 HB2 MET A 76 8.650 -1.534 3.849 0.10 0.00 H new ATOM 0 HB3 MET A 76 7.944 -3.038 4.405 0.10 0.00 H new ATOM 0 HG2 MET A 76 6.272 -1.395 4.728 0.17 0.00 H new ATOM 0 HG3 MET A 76 6.907 -1.738 6.325 0.17 0.00 H new ATOM 0 HE1 MET A 76 6.148 1.982 6.809 0.17 0.00 H new ATOM 0 HE2 MET A 76 5.250 1.186 5.495 0.17 0.00 H new ATOM 0 HE3 MET A 76 5.599 0.300 6.999 0.17 0.00 H new ATOM 1214 N PHE A 77 11.042 -0.656 4.752 0.11 0.00 N ATOM 1215 CA PHE A 77 11.859 0.552 4.727 0.75 0.00 C ATOM 1216 C PHE A 77 11.826 1.189 3.340 1.00 0.00 C ATOM 1217 O PHE A 77 12.311 0.609 2.369 0.65 0.00 O ATOM 1218 CB PHE A 77 13.302 0.226 5.120 0.23 0.00 C ATOM 1219 CG PHE A 77 14.181 1.438 5.262 0.23 0.00 C ATOM 1220 CD1 PHE A 77 14.238 2.133 6.460 0.09 0.00 C ATOM 1221 CD2 PHE A 77 14.952 1.881 4.198 0.06 0.00 C ATOM 1222 CE1 PHE A 77 15.045 3.247 6.594 0.36 0.00 C ATOM 1223 CE2 PHE A 77 15.762 2.994 4.327 0.06 0.00 C ATOM 1224 CZ PHE A 77 15.809 3.678 5.528 0.43 0.00 C ATOM 0 H PHE A 77 11.092 -1.213 3.899 0.11 0.00 H new ATOM 0 HA PHE A 77 11.449 1.260 5.447 0.75 0.00 H new ATOM 0 HB2 PHE A 77 13.297 -0.320 6.063 0.23 0.00 H new ATOM 0 HB3 PHE A 77 13.732 -0.437 4.370 0.23 0.00 H new ATOM 0 HD1 PHE A 77 13.645 1.800 7.299 0.09 0.00 H new ATOM 0 HD2 PHE A 77 14.919 1.351 3.258 0.06 0.00 H new ATOM 0 HE1 PHE A 77 15.078 3.780 7.533 0.36 0.00 H new ATOM 0 HE2 PHE A 77 16.357 3.329 3.491 0.06 0.00 H new ATOM 0 HZ PHE A 77 16.442 4.547 5.632 0.43 0.00 H new ATOM 1234 N HIS A 78 11.249 2.384 3.257 0.16 0.00 N ATOM 1235 CA HIS A 78 11.148 3.096 1.988 1.00 0.00 C ATOM 1236 C HIS A 78 11.775 4.485 2.090 0.56 0.00 C ATOM 1237 O HIS A 78 11.886 5.042 3.182 0.13 0.00 O ATOM 1238 CB HIS A 78 9.682 3.216 1.564 0.16 0.00 C ATOM 1239 CG HIS A 78 9.019 1.897 1.321 0.42 0.00 C ATOM 1240 ND1 HIS A 78 8.215 1.261 2.240 0.35 0.00 N ATOM 1241 CD2 HIS A 78 9.048 1.092 0.228 0.09 0.00 C ATOM 1242 CE1 HIS A 78 7.790 0.114 1.691 0.09 0.00 C ATOM 1243 NE2 HIS A 78 8.267 -0.035 0.470 1.00 0.00 N ATOM 0 H HIS A 78 10.845 2.879 4.052 0.16 0.00 H new ATOM 0 HA HIS A 78 11.693 2.526 1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.132 3.753 2.337 0.16 0.00 H new ATOM 0 HB3 HIS A 78 9.623 3.816 0.656 0.16 0.00 H new ATOM 0 HD1 HIS A 78 7.984 1.602 3.173 0.35 0.00 H new ATOM 0 HD2 HIS A 78 9.590 1.294 -0.684 0.09 0.00 H new ATOM 0 HE1 HIS A 78 7.142 -0.595 2.184 0.09 0.00 H new ATOM 1251 N PRO A 79 12.196 5.067 0.950 0.42 0.00 N ATOM 1252 CA PRO A 79 12.810 6.397 0.925 0.24 0.00 C ATOM 1253 C PRO A 79 11.843 7.489 1.368 0.35 0.00 C ATOM 1254 O PRO A 79 12.256 8.606 1.676 0.64 0.00 O ATOM 1255 CB PRO A 79 13.205 6.594 -0.543 0.12 0.00 C ATOM 1256 CG PRO A 79 12.339 5.652 -1.306 0.17 0.00 C ATOM 1257 CD PRO A 79 12.105 4.477 -0.399 0.40 0.00 C ATOM 0 HA PRO A 79 13.653 6.464 1.613 0.24 0.00 H new ATOM 0 HB2 PRO A 79 13.043 7.624 -0.860 0.12 0.00 H new ATOM 0 HB3 PRO A 79 14.261 6.375 -0.700 0.12 0.00 H new ATOM 0 HG2 PRO A 79 11.397 6.125 -1.582 0.17 0.00 H new ATOM 0 HG3 PRO A 79 12.823 5.340 -2.232 0.17 0.00 H new ATOM 0 HD2 PRO A 79 11.130 4.021 -0.574 0.40 0.00 H new ATOM 0 HD3 PRO A 79 12.853 3.698 -0.549 0.40 0.00 H new ATOM 1265 N ASN A 80 10.554 7.160 1.397 0.16 0.00 N ATOM 1266 CA ASN A 80 9.535 8.118 1.810 1.00 0.00 C ATOM 1267 C ASN A 80 8.371 7.422 2.512 1.00 0.00 C ATOM 1268 O ASN A 80 7.686 6.586 1.923 0.71 0.00 O ATOM 1269 CB ASN A 80 9.023 8.897 0.597 0.06 0.00 C ATOM 1270 CG ASN A 80 8.692 7.993 -0.575 1.00 0.00 C ATOM 1271 OD1 ASN A 80 7.451 7.525 -0.630 1.00 0.00 O flip ATOM 1272 ND2 ASN A 80 9.542 7.719 -1.422 0.62 0.00 N flip ATOM 0 H ASN A 80 10.193 6.241 1.140 0.16 0.00 H new ATOM 0 HA ASN A 80 9.992 8.810 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.134 9.460 0.880 0.06 0.00 H new ATOM 0 HB3 ASN A 80 9.776 9.623 0.291 0.06 0.00 H new ATOM 0 HD21 ASN A 80 10.484 8.101 -1.341 0.62 0.00 H new ATOM 0 HD22 ASN A 80 9.304 7.110 -2.205 0.62 0.00 H new ATOM 1279 N VAL A 81 8.159 7.776 3.776 0.22 0.00 N ATOM 1280 CA VAL A 81 7.076 7.203 4.567 0.09 0.00 C ATOM 1281 C VAL A 81 6.663 8.157 5.687 0.57 0.00 C ATOM 1282 O VAL A 81 7.482 8.930 6.184 1.00 0.00 O ATOM 1283 CB VAL A 81 7.478 5.842 5.171 0.94 0.00 C ATOM 1284 CG1 VAL A 81 8.593 6.014 6.192 0.14 0.00 C ATOM 1285 CG2 VAL A 81 6.272 5.156 5.796 0.10 0.00 C ATOM 0 H VAL A 81 8.726 8.460 4.276 0.22 0.00 H new ATOM 0 HA VAL A 81 6.231 7.048 3.896 0.09 0.00 H new ATOM 0 HB VAL A 81 7.851 5.208 4.367 0.94 0.00 H new ATOM 0 HG11 VAL A 81 8.861 5.042 6.605 0.14 0.00 H new ATOM 0 HG12 VAL A 81 9.464 6.455 5.708 0.14 0.00 H new ATOM 0 HG13 VAL A 81 8.253 6.668 6.995 0.14 0.00 H new ATOM 0 HG21 VAL A 81 6.576 4.197 6.217 0.10 0.00 H new ATOM 0 HG22 VAL A 81 5.864 5.786 6.586 0.10 0.00 H new ATOM 0 HG23 VAL A 81 5.511 4.992 5.033 0.10 0.00 H new ATOM 1295 N TYR A 82 5.394 8.102 6.081 0.85 0.00 N ATOM 1296 CA TYR A 82 4.892 8.963 7.147 0.20 0.00 C ATOM 1297 C TYR A 82 5.134 8.331 8.514 0.10 0.00 C ATOM 1298 O TYR A 82 5.415 7.137 8.614 1.00 0.00 O ATOM 1299 CB TYR A 82 3.399 9.241 6.956 0.07 0.00 C ATOM 1300 CG TYR A 82 3.095 10.164 5.795 0.16 0.00 C ATOM 1301 CD1 TYR A 82 2.910 9.662 4.513 1.00 0.00 C ATOM 1302 CD2 TYR A 82 2.995 11.536 5.984 0.53 0.00 C ATOM 1303 CE1 TYR A 82 2.633 10.503 3.453 1.00 0.00 C ATOM 1304 CE2 TYR A 82 2.717 12.384 4.927 1.00 0.00 C ATOM 1305 CZ TYR A 82 2.537 11.862 3.664 0.20 0.00 C ATOM 1306 OH TYR A 82 2.260 12.701 2.610 1.00 0.00 O ATOM 0 H TYR A 82 4.698 7.474 5.680 0.85 0.00 H new ATOM 0 HA TYR A 82 5.435 9.907 7.100 0.20 0.00 H new ATOM 0 HB2 TYR A 82 2.879 8.295 6.802 0.07 0.00 H new ATOM 0 HB3 TYR A 82 3.000 9.679 7.871 0.07 0.00 H new ATOM 0 HD1 TYR A 82 2.984 8.598 4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.137 11.948 6.972 0.53 0.00 H new ATOM 0 HE1 TYR A 82 2.492 10.097 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.641 13.449 5.090 1.00 0.00 H new ATOM 0 HH TYR A 82 2.226 13.627 2.929 1.00 0.00 H new ATOM 1316 N ALA A 83 5.030 9.141 9.564 0.36 0.00 N ATOM 1317 CA ALA A 83 5.237 8.658 10.925 1.00 0.00 C ATOM 1318 C ALA A 83 4.218 7.582 11.278 0.20 0.00 C ATOM 1319 O ALA A 83 4.535 6.612 11.967 0.38 0.00 O ATOM 1320 CB ALA A 83 5.156 9.810 11.914 0.12 0.00 C ATOM 0 H ALA A 83 4.804 10.133 9.498 0.36 0.00 H new ATOM 0 HA ALA A 83 6.232 8.217 10.983 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.312 9.433 12.925 0.12 0.00 H new ATOM 0 HB2 ALA A 83 5.924 10.547 11.678 0.12 0.00 H new ATOM 0 HB3 ALA A 83 4.173 10.277 11.849 0.12 0.00 H new ATOM 1326 N ASP A 84 2.992 7.761 10.797 0.41 0.00 N ATOM 1327 CA ASP A 84 1.922 6.807 11.054 0.84 0.00 C ATOM 1328 C ASP A 84 2.174 5.501 10.307 0.29 0.00 C ATOM 1329 O ASP A 84 1.560 4.475 10.602 0.31 0.00 O ATOM 1330 CB ASP A 84 0.575 7.401 10.636 1.00 0.00 C ATOM 1331 CG ASP A 84 -0.583 6.460 10.900 0.45 0.00 C ATOM 1332 OD1 ASP A 84 -1.113 6.472 12.032 1.00 0.00 O ATOM 1333 OD2 ASP A 84 -0.963 5.711 9.975 0.60 0.00 O ATOM 0 H ASP A 84 2.716 8.560 10.226 0.41 0.00 H new ATOM 0 HA ASP A 84 1.900 6.594 12.123 0.84 0.00 H new ATOM 0 HB2 ASP A 84 0.410 8.334 11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.604 7.647 9.574 1.00 0.00 H new ATOM 1338 N GLY A 85 3.084 5.549 9.338 0.32 0.00 N ATOM 1339 CA GLY A 85 3.406 4.368 8.559 0.07 0.00 C ATOM 1340 C GLY A 85 2.572 4.266 7.299 0.18 0.00 C ATOM 1341 O GLY A 85 2.486 3.201 6.685 0.42 0.00 O ATOM 0 H GLY A 85 3.605 6.387 9.079 0.32 0.00 H new ATOM 0 HA2 GLY A 85 4.463 4.388 8.292 0.07 0.00 H new ATOM 0 HA3 GLY A 85 3.249 3.479 9.169 0.07 0.00 H new ATOM 1345 N SER A 86 1.954 5.377 6.914 0.45 0.00 N ATOM 1346 CA SER A 86 1.123 5.416 5.719 0.26 0.00 C ATOM 1347 C SER A 86 1.980 5.582 4.469 0.15 0.00 C ATOM 1348 O SER A 86 3.061 6.170 4.520 1.00 0.00 O ATOM 1349 CB SER A 86 0.109 6.557 5.814 0.15 0.00 C ATOM 1350 OG SER A 86 -0.727 6.592 4.671 0.40 0.00 O ATOM 0 H SER A 86 2.014 6.264 7.414 0.45 0.00 H new ATOM 0 HA SER A 86 0.586 4.470 5.647 0.26 0.00 H new ATOM 0 HB2 SER A 86 -0.499 6.433 6.710 0.15 0.00 H new ATOM 0 HB3 SER A 86 0.634 7.507 5.914 0.15 0.00 H new ATOM 0 HG SER A 86 -1.367 7.329 4.757 0.40 0.00 H new ATOM 1356 N ILE A 87 1.492 5.060 3.348 0.96 0.00 N ATOM 1357 CA ILE A 87 2.218 5.150 2.087 0.07 0.00 C ATOM 1358 C ILE A 87 2.096 6.545 1.484 0.69 0.00 C ATOM 1359 O ILE A 87 1.005 7.110 1.415 0.45 0.00 O ATOM 1360 CB ILE A 87 1.712 4.110 1.064 1.00 0.00 C ATOM 1361 CG1 ILE A 87 1.905 2.692 1.602 0.05 0.00 C ATOM 1362 CG2 ILE A 87 2.431 4.274 -0.266 0.61 0.00 C ATOM 1363 CD1 ILE A 87 0.814 2.248 2.552 1.00 0.00 C ATOM 0 H ILE A 87 0.599 4.571 3.288 0.96 0.00 H new ATOM 0 HA ILE A 87 3.265 4.942 2.310 0.07 0.00 H new ATOM 0 HB ILE A 87 0.647 4.278 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.949 1.997 0.763 0.05 0.00 H new ATOM 0 HG13 ILE A 87 2.866 2.635 2.114 0.05 0.00 H new ATOM 0 HG21 ILE A 87 2.061 3.532 -0.974 0.61 0.00 H new ATOM 0 HG22 ILE A 87 2.246 5.274 -0.659 0.61 0.00 H new ATOM 0 HG23 ILE A 87 3.502 4.134 -0.120 0.61 0.00 H new ATOM 0 HD11 ILE A 87 1.019 1.233 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.784 2.919 3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.147 2.272 2.039 1.00 0.00 H new ATOM 1375 N CYS A 88 3.225 7.092 1.048 1.00 0.00 N ATOM 1376 CA CYS A 88 3.250 8.423 0.453 0.09 0.00 C ATOM 1377 C CYS A 88 2.756 8.382 -0.988 0.06 0.00 C ATOM 1378 O CYS A 88 3.455 7.905 -1.882 1.00 0.00 O ATOM 1379 CB CYS A 88 4.663 9.005 0.508 0.12 0.00 C ATOM 1380 SG CYS A 88 4.805 10.666 -0.192 0.24 0.00 S ATOM 0 H CYS A 88 4.135 6.634 1.095 1.00 0.00 H new ATOM 0 HA CYS A 88 2.582 9.064 1.028 0.09 0.00 H new ATOM 0 HB2 CYS A 88 4.994 9.030 1.546 0.12 0.00 H new ATOM 0 HB3 CYS A 88 5.340 8.338 -0.026 0.12 0.00 H new ATOM 0 HG CYS A 88 6.036 11.073 -0.098 0.24 0.00 H new ATOM 1386 N LEU A 89 1.544 8.885 -1.204 0.74 0.00 N ATOM 1387 CA LEU A 89 0.951 8.909 -2.536 0.06 0.00 C ATOM 1388 C LEU A 89 0.037 10.120 -2.695 0.32 0.00 C ATOM 1389 O LEU A 89 -0.680 10.495 -1.767 1.00 0.00 O ATOM 1390 CB LEU A 89 0.166 7.620 -2.790 0.56 0.00 C ATOM 1391 CG LEU A 89 0.407 6.963 -4.154 1.00 0.00 C ATOM 1392 CD1 LEU A 89 0.024 7.907 -5.284 0.06 0.00 C ATOM 1393 CD2 LEU A 89 1.860 6.531 -4.288 0.29 0.00 C ATOM 0 H LEU A 89 0.954 9.282 -0.473 0.74 0.00 H new ATOM 0 HA LEU A 89 1.755 8.983 -3.269 0.06 0.00 H new ATOM 0 HB2 LEU A 89 0.417 6.902 -2.010 0.56 0.00 H new ATOM 0 HB3 LEU A 89 -0.898 7.837 -2.693 0.56 0.00 H new ATOM 0 HG LEU A 89 -0.225 6.077 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.204 7.419 -6.242 0.06 0.00 H new ATOM 0 HD12 LEU A 89 -1.032 8.165 -5.200 0.06 0.00 H new ATOM 0 HD13 LEU A 89 0.625 8.814 -5.220 0.06 0.00 H new ATOM 0 HD21 LEU A 89 2.013 6.067 -5.262 0.29 0.00 H new ATOM 0 HD22 LEU A 89 2.509 7.402 -4.195 0.29 0.00 H new ATOM 0 HD23 LEU A 89 2.100 5.814 -3.503 0.29 0.00 H new ATOM 1405 N ASP A 90 0.066 10.726 -3.878 1.00 0.00 N ATOM 1406 CA ASP A 90 -0.754 11.899 -4.160 1.00 0.00 C ATOM 1407 C ASP A 90 -2.228 11.525 -4.297 1.00 0.00 C ATOM 1408 O ASP A 90 -3.102 12.389 -4.246 0.26 0.00 O ATOM 1409 CB ASP A 90 -0.272 12.587 -5.437 1.00 0.00 C ATOM 1410 CG ASP A 90 -0.357 11.681 -6.651 0.17 0.00 C ATOM 1411 OD1 ASP A 90 0.630 10.968 -6.930 0.07 0.00 O ATOM 1412 OD2 ASP A 90 -1.411 11.685 -7.321 0.05 0.00 O ATOM 0 H ASP A 90 0.650 10.423 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.653 12.586 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.870 13.481 -5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.759 12.914 -5.303 1.00 0.00 H new ATOM 1417 N ILE A 91 -2.497 10.234 -4.469 0.88 0.00 N ATOM 1418 CA ILE A 91 -3.869 9.757 -4.615 1.00 0.00 C ATOM 1419 C ILE A 91 -4.618 9.822 -3.288 1.00 0.00 C ATOM 1420 O ILE A 91 -5.832 10.021 -3.261 1.00 0.00 O ATOM 1421 CB ILE A 91 -3.912 8.311 -5.154 0.18 0.00 C ATOM 1422 CG1 ILE A 91 -5.349 7.919 -5.507 0.05 0.00 C ATOM 1423 CG2 ILE A 91 -3.328 7.345 -4.133 1.00 0.00 C ATOM 1424 CD1 ILE A 91 -5.457 6.590 -6.223 0.64 0.00 C ATOM 0 H ILE A 91 -1.787 9.503 -4.511 0.88 0.00 H new ATOM 0 HA ILE A 91 -4.357 10.414 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.307 8.258 -6.059 0.18 0.00 H new ATOM 0 HG12 ILE A 91 -5.941 7.878 -4.592 0.05 0.00 H new ATOM 0 HG13 ILE A 91 -5.785 8.696 -6.134 0.05 0.00 H new ATOM 0 HG21 ILE A 91 -3.366 6.330 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.292 7.616 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.907 7.397 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.504 6.378 -6.441 0.64 0.00 H new ATOM 0 HD12 ILE A 91 -4.894 6.632 -7.155 0.64 0.00 H new ATOM 0 HD13 ILE A 91 -5.052 5.801 -5.589 0.64 0.00 H new ATOM 1436 N LEU A 92 -3.886 9.657 -2.189 0.38 0.00 N ATOM 1437 CA LEU A 92 -4.482 9.697 -0.859 0.08 0.00 C ATOM 1438 C LEU A 92 -4.814 11.131 -0.457 0.06 0.00 C ATOM 1439 O LEU A 92 -5.442 11.368 0.576 0.13 0.00 O ATOM 1440 CB LEU A 92 -3.533 9.074 0.168 1.00 0.00 C ATOM 1441 CG LEU A 92 -3.084 7.642 -0.143 0.46 0.00 C ATOM 1442 CD1 LEU A 92 -2.081 7.161 0.894 1.00 0.00 C ATOM 1443 CD2 LEU A 92 -4.283 6.706 -0.199 1.00 0.00 C ATOM 0 H LEU A 92 -2.879 9.494 -2.195 0.38 0.00 H new ATOM 0 HA LEU A 92 -5.407 9.121 -0.884 0.08 0.00 H new ATOM 0 HB2 LEU A 92 -2.648 9.705 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.022 9.081 1.142 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.599 7.638 -1.119 0.46 0.00 H new ATOM 0 HD11 LEU A 92 -1.773 6.142 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.209 7.815 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.541 7.181 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.944 5.694 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.796 6.714 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.968 7.039 -0.979 1.00 0.00 H new ATOM 1455 N GLN A 93 -4.386 12.082 -1.280 0.10 0.00 N ATOM 1456 CA GLN A 93 -4.634 13.494 -1.016 1.00 0.00 C ATOM 1457 C GLN A 93 -6.045 13.886 -1.444 0.60 0.00 C ATOM 1458 O GLN A 93 -6.908 13.028 -1.635 0.36 0.00 O ATOM 1459 CB GLN A 93 -3.605 14.356 -1.750 1.00 0.00 C ATOM 1460 CG GLN A 93 -2.167 13.998 -1.414 0.09 0.00 C ATOM 1461 CD GLN A 93 -1.860 14.141 0.065 1.00 0.00 C ATOM 1462 OE1 GLN A 93 -2.439 14.983 0.751 0.07 0.00 O ATOM 1463 NE2 GLN A 93 -0.949 13.313 0.563 0.09 0.00 N ATOM 0 H GLN A 93 -3.864 11.900 -2.137 0.10 0.00 H new ATOM 0 HA GLN A 93 -4.540 13.663 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.756 14.252 -2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.778 15.404 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.970 12.972 -1.725 0.09 0.00 H new ATOM 0 HG3 GLN A 93 -1.494 14.638 -1.984 0.09 0.00 H new ATOM 0 HE21 GLN A 93 -0.494 12.630 -0.044 0.09 0.00 H new ATOM 0 HE22 GLN A 93 -0.704 13.360 1.552 0.09 0.00 H new ATOM 1472 N ASN A 94 -6.273 15.187 -1.591 0.43 0.00 N ATOM 1473 CA ASN A 94 -7.578 15.700 -1.997 0.38 0.00 C ATOM 1474 C ASN A 94 -7.906 15.301 -3.433 0.19 0.00 C ATOM 1475 O ASN A 94 -9.003 15.567 -3.925 0.06 0.00 O ATOM 1476 CB ASN A 94 -7.612 17.224 -1.863 0.87 0.00 C ATOM 1477 CG ASN A 94 -6.560 17.907 -2.718 0.28 0.00 C ATOM 1478 OD1 ASN A 94 -5.493 17.351 -2.974 0.73 0.00 O ATOM 1479 ND2 ASN A 94 -6.858 19.122 -3.165 0.08 0.00 N ATOM 0 H ASN A 94 -5.569 15.908 -1.435 0.43 0.00 H new ATOM 0 HA ASN A 94 -8.329 15.262 -1.339 0.38 0.00 H new ATOM 0 HB2 ASN A 94 -8.599 17.588 -2.147 0.87 0.00 H new ATOM 0 HB3 ASN A 94 -7.460 17.497 -0.819 0.87 0.00 H new ATOM 0 HD21 ASN A 94 -6.190 19.630 -3.744 0.08 0.00 H new ATOM 0 HD22 ASN A 94 -7.755 19.547 -2.929 0.08 0.00 H new ATOM 1486 N ARG A 95 -6.950 14.664 -4.103 0.11 0.00 N ATOM 1487 CA ARG A 95 -7.140 14.235 -5.485 1.00 0.00 C ATOM 1488 C ARG A 95 -7.966 12.952 -5.554 0.07 0.00 C ATOM 1489 O ARG A 95 -8.444 12.569 -6.622 0.13 0.00 O ATOM 1490 CB ARG A 95 -5.785 14.024 -6.165 0.69 0.00 C ATOM 1491 CG ARG A 95 -5.890 13.761 -7.659 1.00 0.00 C ATOM 1492 CD ARG A 95 -4.518 13.632 -8.301 0.11 0.00 C ATOM 1493 NE ARG A 95 -4.607 13.432 -9.746 0.06 0.00 N ATOM 1494 CZ ARG A 95 -3.563 13.504 -10.567 0.08 0.00 C ATOM 1495 NH1 ARG A 95 -2.354 13.767 -10.088 0.09 0.00 N ATOM 1496 NH2 ARG A 95 -3.728 13.315 -11.869 1.00 0.00 N ATOM 0 H ARG A 95 -6.037 14.434 -3.712 0.11 0.00 H new ATOM 0 HA ARG A 95 -7.685 15.020 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.165 14.905 -6.002 0.69 0.00 H new ATOM 0 HB3 ARG A 95 -5.277 13.184 -5.691 0.69 0.00 H new ATOM 0 HG2 ARG A 95 -6.460 12.847 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.440 14.573 -8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.935 14.530 -8.094 0.11 0.00 H new ATOM 0 HD3 ARG A 95 -3.984 12.795 -7.851 0.11 0.00 H new ATOM 0 HE ARG A 95 -5.522 13.225 -10.148 0.06 0.00 H new ATOM 0 HH11 ARG A 95 -2.223 13.915 -9.087 0.09 0.00 H new ATOM 0 HH12 ARG A 95 -1.556 13.821 -10.720 0.09 0.00 H new ATOM 0 HH21 ARG A 95 -4.656 13.114 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.927 13.370 -12.498 1.00 0.00 H new ATOM 1510 N TRP A 96 -8.134 12.292 -4.411 0.38 0.00 N ATOM 1511 CA TRP A 96 -8.904 11.053 -4.351 0.73 0.00 C ATOM 1512 C TRP A 96 -10.336 11.274 -4.829 1.00 0.00 C ATOM 1513 O TRP A 96 -10.931 12.323 -4.578 1.00 0.00 O ATOM 1514 CB TRP A 96 -8.907 10.491 -2.926 0.71 0.00 C ATOM 1515 CG TRP A 96 -9.811 9.307 -2.753 1.00 0.00 C ATOM 1516 CD1 TRP A 96 -10.926 9.237 -1.970 0.14 0.00 C ATOM 1517 CD2 TRP A 96 -9.681 8.027 -3.383 0.06 0.00 C ATOM 1518 NE1 TRP A 96 -11.496 7.991 -2.070 1.00 0.00 N ATOM 1519 CE2 TRP A 96 -10.751 7.229 -2.931 0.17 0.00 C ATOM 1520 CE3 TRP A 96 -8.764 7.475 -4.283 0.57 0.00 C ATOM 1521 CZ2 TRP A 96 -10.928 5.913 -3.351 0.26 0.00 C ATOM 1522 CZ3 TRP A 96 -8.942 6.168 -4.698 0.12 0.00 C ATOM 1523 CH2 TRP A 96 -10.016 5.400 -4.233 0.25 0.00 C ATOM 0 H TRP A 96 -7.748 12.593 -3.516 0.38 0.00 H new ATOM 0 HA TRP A 96 -8.428 10.331 -5.015 0.73 0.00 H new ATOM 0 HB2 TRP A 96 -7.891 10.205 -2.654 0.71 0.00 H new ATOM 0 HB3 TRP A 96 -9.213 11.276 -2.235 0.71 0.00 H new ATOM 0 HD1 TRP A 96 -11.305 10.044 -1.360 0.14 0.00 H new ATOM 0 HE1 TRP A 96 -12.337 7.683 -1.582 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -7.932 8.059 -4.647 0.57 0.00 H new ATOM 0 HZ2 TRP A 96 -11.756 5.318 -2.993 0.26 0.00 H new ATOM 0 HZ3 TRP A 96 -8.240 5.732 -5.393 0.12 0.00 H new ATOM 0 HH2 TRP A 96 -10.127 4.382 -4.577 0.25 0.00 H new ATOM 1534 N SER A 97 -10.882 10.278 -5.519 0.93 0.00 N ATOM 1535 CA SER A 97 -12.245 10.356 -6.034 0.06 0.00 C ATOM 1536 C SER A 97 -13.007 9.061 -5.751 0.55 0.00 C ATOM 1537 O SER A 97 -12.417 7.980 -5.735 0.07 0.00 O ATOM 1538 CB SER A 97 -12.229 10.632 -7.539 1.00 0.00 C ATOM 1539 OG SER A 97 -11.564 11.850 -7.827 0.06 0.00 O ATOM 0 H SER A 97 -10.400 9.405 -5.735 0.93 0.00 H new ATOM 0 HA SER A 97 -12.753 11.176 -5.527 0.06 0.00 H new ATOM 0 HB2 SER A 97 -11.732 9.812 -8.057 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.251 10.674 -7.915 1.00 0.00 H new ATOM 0 HG SER A 97 -11.566 12.003 -8.795 0.06 0.00 H new ATOM 1545 N PRO A 98 -14.333 9.153 -5.520 0.16 0.00 N ATOM 1546 CA PRO A 98 -15.171 7.982 -5.239 0.14 0.00 C ATOM 1547 C PRO A 98 -15.414 7.129 -6.480 0.93 0.00 C ATOM 1548 O PRO A 98 -16.060 6.083 -6.408 0.33 0.00 O ATOM 1549 CB PRO A 98 -16.496 8.584 -4.740 1.00 0.00 C ATOM 1550 CG PRO A 98 -16.244 10.048 -4.570 1.00 0.00 C ATOM 1551 CD PRO A 98 -15.121 10.391 -5.504 0.07 0.00 C ATOM 0 HA PRO A 98 -14.696 7.316 -4.519 0.14 0.00 H new ATOM 0 HB2 PRO A 98 -17.299 8.407 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.802 8.128 -3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -17.137 10.627 -4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -15.977 10.280 -3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -15.485 10.653 -6.497 0.07 0.00 H new ATOM 0 HD3 PRO A 98 -14.538 11.239 -5.144 0.07 0.00 H new ATOM 1559 N THR A 99 -14.893 7.582 -7.617 0.09 0.00 N ATOM 1560 CA THR A 99 -15.059 6.861 -8.875 1.00 0.00 C ATOM 1561 C THR A 99 -14.162 5.629 -8.930 0.15 0.00 C ATOM 1562 O THR A 99 -14.558 4.586 -9.453 0.30 0.00 O ATOM 1563 CB THR A 99 -14.747 7.761 -10.084 0.56 0.00 C ATOM 1564 OG1 THR A 99 -13.415 8.280 -9.980 0.10 0.00 O ATOM 1565 CG2 THR A 99 -15.740 8.912 -10.169 0.13 0.00 C ATOM 0 H THR A 99 -14.353 8.444 -7.693 0.09 0.00 H new ATOM 0 HA THR A 99 -16.102 6.549 -8.922 1.00 0.00 H new ATOM 0 HB THR A 99 -14.831 7.159 -10.989 0.56 0.00 H new ATOM 0 HG1 THR A 99 -13.225 8.850 -10.754 0.10 0.00 H new ATOM 0 HG21 THR A 99 -15.501 9.536 -11.030 0.13 0.00 H new ATOM 0 HG22 THR A 99 -16.749 8.515 -10.277 0.13 0.00 H new ATOM 0 HG23 THR A 99 -15.681 9.511 -9.260 0.13 0.00 H new ATOM 1573 N TYR A 100 -12.955 5.754 -8.389 0.44 0.00 N ATOM 1574 CA TYR A 100 -12.000 4.650 -8.379 0.51 0.00 C ATOM 1575 C TYR A 100 -12.470 3.532 -7.454 1.00 0.00 C ATOM 1576 O TYR A 100 -13.418 3.704 -6.687 0.95 0.00 O ATOM 1577 CB TYR A 100 -10.621 5.149 -7.947 0.16 0.00 C ATOM 1578 CG TYR A 100 -10.022 6.164 -8.895 0.32 0.00 C ATOM 1579 CD1 TYR A 100 -9.307 5.758 -10.015 1.00 0.00 C ATOM 1580 CD2 TYR A 100 -10.172 7.526 -8.670 0.61 0.00 C ATOM 1581 CE1 TYR A 100 -8.759 6.682 -10.885 0.93 0.00 C ATOM 1582 CE2 TYR A 100 -9.627 8.456 -9.536 1.00 0.00 C ATOM 1583 CZ TYR A 100 -8.923 8.029 -10.642 0.07 0.00 C ATOM 1584 OH TYR A 100 -8.378 8.952 -11.505 1.00 0.00 O ATOM 0 H TYR A 100 -12.614 6.610 -7.951 0.44 0.00 H new ATOM 0 HA TYR A 100 -11.931 4.249 -9.390 0.51 0.00 H new ATOM 0 HB2 TYR A 100 -10.698 5.592 -6.954 0.16 0.00 H new ATOM 0 HB3 TYR A 100 -9.945 4.298 -7.864 0.16 0.00 H new ATOM 0 HD1 TYR A 100 -9.177 4.704 -10.209 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -10.723 7.864 -7.805 0.61 0.00 H new ATOM 0 HE1 TYR A 100 -8.205 6.350 -11.751 0.93 0.00 H new ATOM 0 HE2 TYR A 100 -9.752 9.512 -9.347 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.586 9.857 -11.191 1.00 0.00 H new ATOM 1594 N ASP A 101 -11.799 2.384 -7.530 1.00 0.00 N ATOM 1595 CA ASP A 101 -12.154 1.236 -6.702 0.47 0.00 C ATOM 1596 C ASP A 101 -10.986 0.807 -5.818 0.26 0.00 C ATOM 1597 O ASP A 101 -9.948 1.470 -5.776 0.54 0.00 O ATOM 1598 CB ASP A 101 -12.593 0.065 -7.583 0.39 0.00 C ATOM 1599 CG ASP A 101 -13.799 0.404 -8.436 0.13 0.00 C ATOM 1600 OD1 ASP A 101 -13.610 0.985 -9.525 1.00 0.00 O ATOM 1601 OD2 ASP A 101 -14.931 0.089 -8.015 1.00 0.00 O ATOM 0 H ASP A 101 -11.009 2.226 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 101 -12.980 1.534 -6.056 0.47 0.00 H new ATOM 0 HB2 ASP A 101 -11.766 -0.230 -8.229 0.39 0.00 H new ATOM 0 HB3 ASP A 101 -12.827 -0.793 -6.952 0.39 0.00 H new ATOM 1606 N VAL A 102 -11.168 -0.306 -5.113 0.32 0.00 N ATOM 1607 CA VAL A 102 -10.140 -0.836 -4.224 1.00 0.00 C ATOM 1608 C VAL A 102 -8.887 -1.231 -5.003 0.05 0.00 C ATOM 1609 O VAL A 102 -7.781 -1.233 -4.462 1.00 0.00 O ATOM 1610 CB VAL A 102 -10.664 -2.059 -3.440 0.86 0.00 C ATOM 1611 CG1 VAL A 102 -9.573 -2.652 -2.563 1.00 0.00 C ATOM 1612 CG2 VAL A 102 -11.877 -1.676 -2.604 0.52 0.00 C ATOM 0 H VAL A 102 -12.023 -0.861 -5.141 0.32 0.00 H new ATOM 0 HA VAL A 102 -9.883 -0.045 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.967 -2.820 -4.160 0.86 0.00 H new ATOM 0 HG11 VAL A 102 -9.968 -3.512 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.737 -2.969 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.230 -1.901 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.233 -2.550 -2.058 0.52 0.00 H new ATOM 0 HG22 VAL A 102 -11.599 -0.895 -1.897 0.52 0.00 H new ATOM 0 HG23 VAL A 102 -12.668 -1.309 -3.258 0.52 0.00 H new ATOM 1622 N SER A 103 -9.066 -1.559 -6.277 0.15 0.00 N ATOM 1623 CA SER A 103 -7.952 -1.960 -7.130 0.93 0.00 C ATOM 1624 C SER A 103 -7.032 -0.780 -7.431 0.07 0.00 C ATOM 1625 O SER A 103 -5.824 -0.949 -7.593 1.00 0.00 O ATOM 1626 CB SER A 103 -8.475 -2.556 -8.438 0.13 0.00 C ATOM 1627 OG SER A 103 -9.302 -3.680 -8.191 0.09 0.00 O ATOM 0 H SER A 103 -9.973 -1.555 -6.743 0.15 0.00 H new ATOM 0 HA SER A 103 -7.376 -2.714 -6.594 0.93 0.00 H new ATOM 0 HB2 SER A 103 -9.037 -1.800 -8.987 0.13 0.00 H new ATOM 0 HB3 SER A 103 -7.636 -2.849 -9.069 0.13 0.00 H new ATOM 0 HG SER A 103 -9.625 -4.042 -9.043 0.09 0.00 H new ATOM 1633 N SER A 104 -7.611 0.413 -7.507 0.53 0.00 N ATOM 1634 CA SER A 104 -6.846 1.621 -7.804 0.27 0.00 C ATOM 1635 C SER A 104 -5.826 1.928 -6.710 0.10 0.00 C ATOM 1636 O SER A 104 -4.644 2.127 -6.992 0.06 0.00 O ATOM 1637 CB SER A 104 -7.788 2.812 -7.985 0.29 0.00 C ATOM 1638 OG SER A 104 -7.064 3.996 -8.270 1.00 0.00 O ATOM 0 H SER A 104 -8.609 0.571 -7.367 0.53 0.00 H new ATOM 0 HA SER A 104 -6.300 1.444 -8.731 0.27 0.00 H new ATOM 0 HB2 SER A 104 -8.488 2.606 -8.795 0.29 0.00 H new ATOM 0 HB3 SER A 104 -8.380 2.953 -7.080 0.29 0.00 H new ATOM 0 HG SER A 104 -7.627 4.606 -8.791 1.00 0.00 H new ATOM 1644 N ILE A 105 -6.287 1.967 -5.462 1.00 0.00 N ATOM 1645 CA ILE A 105 -5.410 2.262 -4.333 1.00 0.00 C ATOM 1646 C ILE A 105 -4.308 1.213 -4.197 0.41 0.00 C ATOM 1647 O ILE A 105 -3.187 1.528 -3.801 0.07 0.00 O ATOM 1648 CB ILE A 105 -6.213 2.363 -3.015 0.22 0.00 C ATOM 1649 CG1 ILE A 105 -5.349 2.962 -1.889 0.37 0.00 C ATOM 1650 CG2 ILE A 105 -6.779 1.004 -2.620 0.41 0.00 C ATOM 1651 CD1 ILE A 105 -4.513 1.954 -1.121 0.25 0.00 C ATOM 0 H ILE A 105 -7.260 1.798 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.943 3.227 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.054 3.037 -3.179 0.22 0.00 H new ATOM 0 HG12 ILE A 105 -4.684 3.711 -2.320 0.37 0.00 H new ATOM 0 HG13 ILE A 105 -6.001 3.481 -1.187 0.37 0.00 H new ATOM 0 HG21 ILE A 105 -7.340 1.100 -1.690 0.41 0.00 H new ATOM 0 HG22 ILE A 105 -7.441 0.643 -3.407 0.41 0.00 H new ATOM 0 HG23 ILE A 105 -5.962 0.296 -2.480 0.41 0.00 H new ATOM 0 HD11 ILE A 105 -3.940 2.469 -0.350 0.25 0.00 H new ATOM 0 HD12 ILE A 105 -5.168 1.218 -0.655 0.25 0.00 H new ATOM 0 HD13 ILE A 105 -3.830 1.451 -1.806 0.25 0.00 H new ATOM 1663 N LEU A 106 -4.624 -0.031 -4.540 0.37 0.00 N ATOM 1664 CA LEU A 106 -3.651 -1.114 -4.451 0.11 0.00 C ATOM 1665 C LEU A 106 -2.527 -0.926 -5.464 0.69 0.00 C ATOM 1666 O LEU A 106 -1.347 -0.993 -5.118 0.85 0.00 O ATOM 1667 CB LEU A 106 -4.329 -2.467 -4.679 0.16 0.00 C ATOM 1668 CG LEU A 106 -5.235 -2.944 -3.542 0.39 0.00 C ATOM 1669 CD1 LEU A 106 -5.869 -4.279 -3.894 0.14 0.00 C ATOM 1670 CD2 LEU A 106 -4.450 -3.054 -2.243 1.00 0.00 C ATOM 0 H LEU A 106 -5.543 -0.314 -4.881 0.37 0.00 H new ATOM 0 HA LEU A 106 -3.223 -1.093 -3.449 0.11 0.00 H new ATOM 0 HB2 LEU A 106 -4.920 -2.409 -5.593 0.16 0.00 H new ATOM 0 HB3 LEU A 106 -3.557 -3.218 -4.846 0.16 0.00 H new ATOM 0 HG LEU A 106 -6.028 -2.210 -3.403 0.39 0.00 H new ATOM 0 HD11 LEU A 106 -6.510 -4.604 -3.075 0.14 0.00 H new ATOM 0 HD12 LEU A 106 -6.465 -4.171 -4.801 0.14 0.00 H new ATOM 0 HD13 LEU A 106 -5.087 -5.021 -4.059 0.14 0.00 H new ATOM 0 HD21 LEU A 106 -5.111 -3.395 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.636 -3.768 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.040 -2.078 -1.982 1.00 0.00 H new ATOM 1682 N THR A 107 -2.903 -0.690 -6.716 0.07 0.00 N ATOM 1683 CA THR A 107 -1.932 -0.503 -7.784 1.00 0.00 C ATOM 1684 C THR A 107 -1.079 0.745 -7.560 1.00 0.00 C ATOM 1685 O THR A 107 0.061 0.814 -8.016 1.00 0.00 O ATOM 1686 CB THR A 107 -2.625 -0.401 -9.155 1.00 0.00 C ATOM 1687 OG1 THR A 107 -3.527 0.711 -9.166 1.00 0.00 O ATOM 1688 CG2 THR A 107 -3.385 -1.681 -9.471 1.00 0.00 C ATOM 0 H THR A 107 -3.876 -0.624 -7.015 0.07 0.00 H new ATOM 0 HA THR A 107 -1.283 -1.379 -7.772 1.00 0.00 H new ATOM 0 HB THR A 107 -1.859 -0.254 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.705 0.997 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.867 -1.587 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.691 -2.521 -9.489 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.142 -1.853 -8.706 1.00 0.00 H new ATOM 1696 N SER A 108 -1.636 1.729 -6.856 1.00 0.00 N ATOM 1697 CA SER A 108 -0.915 2.970 -6.581 1.00 0.00 C ATOM 1698 C SER A 108 0.333 2.703 -5.745 0.16 0.00 C ATOM 1699 O SER A 108 1.419 3.187 -6.062 0.70 0.00 O ATOM 1700 CB SER A 108 -1.822 3.970 -5.857 0.05 0.00 C ATOM 1701 OG SER A 108 -1.943 3.648 -4.482 1.00 0.00 O ATOM 0 H SER A 108 -2.579 1.692 -6.468 1.00 0.00 H new ATOM 0 HA SER A 108 -0.608 3.396 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.417 4.976 -5.964 0.05 0.00 H new ATOM 0 HB3 SER A 108 -2.808 3.973 -6.321 0.05 0.00 H new ATOM 0 HG SER A 108 -2.610 2.939 -4.370 1.00 0.00 H new ATOM 1707 N ILE A 109 0.169 1.928 -4.677 1.00 0.00 N ATOM 1708 CA ILE A 109 1.281 1.596 -3.794 1.00 0.00 C ATOM 1709 C ILE A 109 2.286 0.686 -4.493 0.66 0.00 C ATOM 1710 O ILE A 109 3.496 0.835 -4.321 1.00 0.00 O ATOM 1711 CB ILE A 109 0.783 0.909 -2.507 0.56 0.00 C ATOM 1712 CG1 ILE A 109 -0.237 1.801 -1.793 0.24 0.00 C ATOM 1713 CG2 ILE A 109 1.955 0.589 -1.589 0.33 0.00 C ATOM 1714 CD1 ILE A 109 -0.924 1.125 -0.625 1.00 0.00 C ATOM 0 H ILE A 109 -0.724 1.518 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 109 1.772 2.533 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 109 0.294 -0.028 -2.775 0.56 0.00 H new ATOM 0 HG12 ILE A 109 0.266 2.700 -1.437 0.24 0.00 H new ATOM 0 HG13 ILE A 109 -0.992 2.122 -2.511 0.24 0.00 H new ATOM 0 HG21 ILE A 109 1.587 0.104 -0.685 0.33 0.00 H new ATOM 0 HG22 ILE A 109 2.648 -0.078 -2.102 0.33 0.00 H new ATOM 0 HG23 ILE A 109 2.471 1.512 -1.322 0.33 0.00 H new ATOM 0 HD11 ILE A 109 -1.632 1.817 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -1.456 0.242 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.179 0.829 0.114 1.00 0.00 H new ATOM 1726 N GLN A 110 1.777 -0.257 -5.280 0.17 0.00 N ATOM 1727 CA GLN A 110 2.633 -1.189 -6.007 1.00 0.00 C ATOM 1728 C GLN A 110 3.591 -0.436 -6.925 0.25 0.00 C ATOM 1729 O GLN A 110 4.762 -0.799 -7.048 0.20 0.00 O ATOM 1730 CB GLN A 110 1.783 -2.164 -6.825 0.21 0.00 C ATOM 1731 CG GLN A 110 2.600 -3.225 -7.545 0.21 0.00 C ATOM 1732 CD GLN A 110 1.772 -4.039 -8.520 0.31 0.00 C ATOM 1733 OE1 GLN A 110 2.155 -5.294 -8.716 0.50 0.00 O flip ATOM 1734 NE2 GLN A 110 0.797 -3.544 -9.089 0.66 0.00 N flip ATOM 0 H GLN A 110 0.778 -0.396 -5.431 0.17 0.00 H new ATOM 0 HA GLN A 110 3.218 -1.753 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.069 -2.654 -6.163 0.21 0.00 H new ATOM 0 HB3 GLN A 110 1.205 -1.602 -7.559 0.21 0.00 H new ATOM 0 HG2 GLN A 110 3.418 -2.745 -8.082 0.21 0.00 H new ATOM 0 HG3 GLN A 110 3.049 -3.893 -6.810 0.21 0.00 H new ATOM 0 HE21 GLN A 110 0.539 -2.574 -8.908 0.66 0.00 H new ATOM 0 HE22 GLN A 110 0.248 -4.104 -9.741 0.66 0.00 H new ATOM 1743 N SER A 111 3.085 0.613 -7.563 0.90 0.00 N ATOM 1744 CA SER A 111 3.890 1.425 -8.470 0.10 0.00 C ATOM 1745 C SER A 111 4.900 2.264 -7.693 0.69 0.00 C ATOM 1746 O SER A 111 5.976 2.585 -8.199 0.17 0.00 O ATOM 1747 CB SER A 111 2.991 2.335 -9.310 1.00 0.00 C ATOM 1748 OG SER A 111 3.757 3.132 -10.197 1.00 0.00 O ATOM 0 H SER A 111 2.118 0.923 -7.469 0.90 0.00 H new ATOM 0 HA SER A 111 4.434 0.754 -9.134 0.10 0.00 H new ATOM 0 HB2 SER A 111 2.285 1.729 -9.878 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.404 2.978 -8.654 1.00 0.00 H new ATOM 0 HG SER A 111 3.159 3.703 -10.723 1.00 0.00 H new ATOM 1754 N LEU A 112 4.541 2.616 -6.461 1.00 0.00 N ATOM 1755 CA LEU A 112 5.403 3.423 -5.605 0.08 0.00 C ATOM 1756 C LEU A 112 6.774 2.770 -5.456 0.17 0.00 C ATOM 1757 O LEU A 112 7.794 3.454 -5.370 0.68 0.00 O ATOM 1758 CB LEU A 112 4.740 3.607 -4.230 0.13 0.00 C ATOM 1759 CG LEU A 112 5.283 4.746 -3.354 0.19 0.00 C ATOM 1760 CD1 LEU A 112 6.590 4.346 -2.689 0.26 0.00 C ATOM 1761 CD2 LEU A 112 5.462 6.020 -4.165 1.00 0.00 C ATOM 0 H LEU A 112 3.654 2.353 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 112 5.543 4.401 -6.065 0.08 0.00 H new ATOM 0 HB2 LEU A 112 3.674 3.774 -4.385 0.13 0.00 H new ATOM 0 HB3 LEU A 112 4.839 2.674 -3.676 0.13 0.00 H new ATOM 0 HG LEU A 112 4.550 4.942 -2.572 0.19 0.00 H new ATOM 0 HD11 LEU A 112 6.953 5.170 -2.075 0.26 0.00 H new ATOM 0 HD12 LEU A 112 6.426 3.470 -2.061 0.26 0.00 H new ATOM 0 HD13 LEU A 112 7.330 4.110 -3.454 0.26 0.00 H new ATOM 0 HD21 LEU A 112 5.847 6.810 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.166 5.838 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.501 6.326 -4.579 1.00 0.00 H new ATOM 1773 N LEU A 113 6.789 1.442 -5.442 1.00 0.00 N ATOM 1774 CA LEU A 113 8.032 0.690 -5.305 0.25 0.00 C ATOM 1775 C LEU A 113 8.908 0.865 -6.539 0.33 0.00 C ATOM 1776 O LEU A 113 10.122 1.042 -6.433 0.17 0.00 O ATOM 1777 CB LEU A 113 7.737 -0.798 -5.104 0.82 0.00 C ATOM 1778 CG LEU A 113 6.429 -1.118 -4.380 0.29 0.00 C ATOM 1779 CD1 LEU A 113 6.224 -2.621 -4.301 0.06 0.00 C ATOM 1780 CD2 LEU A 113 6.422 -0.503 -2.990 0.17 0.00 C ATOM 0 H LEU A 113 5.953 0.863 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 113 8.561 1.076 -4.434 0.25 0.00 H new ATOM 0 HB2 LEU A 113 7.719 -1.282 -6.080 0.82 0.00 H new ATOM 0 HB3 LEU A 113 8.560 -1.241 -4.543 0.82 0.00 H new ATOM 0 HG LEU A 113 5.605 -0.686 -4.947 0.29 0.00 H new ATOM 0 HD11 LEU A 113 5.289 -2.834 -3.783 0.06 0.00 H new ATOM 0 HD12 LEU A 113 6.184 -3.036 -5.308 0.06 0.00 H new ATOM 0 HD13 LEU A 113 7.052 -3.073 -3.755 0.06 0.00 H new ATOM 0 HD21 LEU A 113 5.483 -0.742 -2.491 0.17 0.00 H new ATOM 0 HD22 LEU A 113 7.253 -0.904 -2.410 0.17 0.00 H new ATOM 0 HD23 LEU A 113 6.525 0.579 -3.070 0.17 0.00 H new ATOM 1792 N ASP A 114 8.281 0.811 -7.709 0.27 0.00 N ATOM 1793 CA ASP A 114 8.996 0.952 -8.969 0.31 0.00 C ATOM 1794 C ASP A 114 9.684 2.309 -9.059 0.07 0.00 C ATOM 1795 O ASP A 114 10.757 2.437 -9.649 0.99 0.00 O ATOM 1796 CB ASP A 114 8.034 0.780 -10.145 0.11 0.00 C ATOM 1797 CG ASP A 114 8.736 0.854 -11.487 0.21 0.00 C ATOM 1798 OD1 ASP A 114 9.200 -0.199 -11.972 0.16 0.00 O ATOM 1799 OD2 ASP A 114 8.820 1.964 -12.052 1.00 0.00 O ATOM 0 H ASP A 114 7.276 0.670 -7.809 0.27 0.00 H new ATOM 0 HA ASP A 114 9.759 0.175 -9.012 0.31 0.00 H new ATOM 0 HB2 ASP A 114 7.526 -0.180 -10.057 0.11 0.00 H new ATOM 0 HB3 ASP A 114 7.266 1.552 -10.098 0.11 0.00 H new ATOM 1804 N GLU A 115 9.052 3.318 -8.472 0.17 0.00 N ATOM 1805 CA GLU A 115 9.591 4.674 -8.482 0.19 0.00 C ATOM 1806 C GLU A 115 10.164 5.044 -7.113 0.07 0.00 C ATOM 1807 O GLU A 115 9.433 5.495 -6.231 0.16 0.00 O ATOM 1808 CB GLU A 115 8.498 5.670 -8.874 0.08 0.00 C ATOM 1809 CG GLU A 115 7.904 5.408 -10.249 0.09 0.00 C ATOM 1810 CD GLU A 115 6.761 6.348 -10.579 0.05 0.00 C ATOM 1811 OE1 GLU A 115 7.027 7.439 -11.124 0.16 0.00 O ATOM 1812 OE2 GLU A 115 5.599 5.991 -10.293 0.08 0.00 O ATOM 0 H GLU A 115 8.163 3.223 -7.981 0.17 0.00 H new ATOM 0 HA GLU A 115 10.396 4.715 -9.215 0.19 0.00 H new ATOM 0 HB2 GLU A 115 7.702 5.635 -8.130 0.08 0.00 H new ATOM 0 HB3 GLU A 115 8.911 6.678 -8.852 0.08 0.00 H new ATOM 0 HG2 GLU A 115 8.684 5.511 -11.003 0.09 0.00 H new ATOM 0 HG3 GLU A 115 7.549 4.379 -10.297 0.09 0.00 H new ATOM 1819 N PRO A 116 11.483 4.853 -6.915 0.14 0.00 N ATOM 1820 CA PRO A 116 12.143 5.173 -5.644 0.11 0.00 C ATOM 1821 C PRO A 116 12.051 6.653 -5.301 0.05 0.00 C ATOM 1822 O PRO A 116 12.261 7.050 -4.155 0.07 0.00 O ATOM 1823 CB PRO A 116 13.603 4.767 -5.873 0.05 0.00 C ATOM 1824 CG PRO A 116 13.767 4.712 -7.353 1.00 0.00 C ATOM 1825 CD PRO A 116 12.429 4.309 -7.903 1.00 0.00 C ATOM 0 HA PRO A 116 11.675 4.655 -4.807 0.11 0.00 H new ATOM 0 HB2 PRO A 116 14.287 5.490 -5.428 0.05 0.00 H new ATOM 0 HB3 PRO A 116 13.819 3.801 -5.417 0.05 0.00 H new ATOM 0 HG2 PRO A 116 14.076 5.680 -7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.537 3.993 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 116 12.259 4.726 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.340 3.226 -7.993 1.00 0.00 H new ATOM 1833 N ASN A 117 11.734 7.463 -6.303 0.65 0.00 N ATOM 1834 CA ASN A 117 11.609 8.903 -6.114 0.53 0.00 C ATOM 1835 C ASN A 117 10.235 9.392 -6.570 0.37 0.00 C ATOM 1836 O ASN A 117 9.982 9.511 -7.769 0.12 0.00 O ATOM 1837 CB ASN A 117 12.706 9.634 -6.894 1.00 0.00 C ATOM 1838 CG ASN A 117 12.978 11.031 -6.362 1.00 0.00 C ATOM 1839 OD1 ASN A 117 11.948 11.686 -5.838 0.49 0.00 O flip ATOM 1840 ND2 ASN A 117 14.107 11.518 -6.426 0.43 0.00 N flip ATOM 0 H ASN A 117 11.558 7.147 -7.257 0.65 0.00 H new ATOM 0 HA ASN A 117 11.719 9.119 -5.051 0.53 0.00 H new ATOM 0 HB2 ASN A 117 13.625 9.050 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.417 9.700 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.871 10.981 -6.836 0.43 0.00 H new ATOM 0 HD22 ASN A 117 14.278 12.458 -6.069 0.43 0.00 H new ATOM 1847 N PRO A 118 9.324 9.680 -5.621 1.00 0.00 N ATOM 1848 CA PRO A 118 7.983 10.162 -5.937 0.09 0.00 C ATOM 1849 C PRO A 118 7.943 11.678 -6.096 1.00 0.00 C ATOM 1850 O PRO A 118 6.891 12.301 -5.945 1.00 0.00 O ATOM 1851 CB PRO A 118 7.179 9.727 -4.717 0.38 0.00 C ATOM 1852 CG PRO A 118 8.148 9.802 -3.583 0.18 0.00 C ATOM 1853 CD PRO A 118 9.519 9.546 -4.162 0.05 0.00 C ATOM 0 HA PRO A 118 7.605 9.770 -6.881 0.09 0.00 H new ATOM 0 HB2 PRO A 118 6.323 10.382 -4.552 0.38 0.00 H new ATOM 0 HB3 PRO A 118 6.788 8.717 -4.839 0.38 0.00 H new ATOM 0 HG2 PRO A 118 8.107 10.780 -3.104 0.18 0.00 H new ATOM 0 HG3 PRO A 118 7.907 9.063 -2.819 0.18 0.00 H new ATOM 0 HD2 PRO A 118 10.250 10.264 -3.790 0.05 0.00 H new ATOM 0 HD3 PRO A 118 9.884 8.554 -3.898 0.05 0.00 H new ATOM 1861 N ASN A 119 9.101 12.263 -6.401 0.11 0.00 N ATOM 1862 CA ASN A 119 9.219 13.708 -6.579 0.71 0.00 C ATOM 1863 C ASN A 119 8.885 14.446 -5.284 1.00 0.00 C ATOM 1864 O ASN A 119 8.722 15.667 -5.276 0.12 0.00 O ATOM 1865 CB ASN A 119 8.305 14.185 -7.713 1.00 0.00 C ATOM 1866 CG ASN A 119 8.553 15.634 -8.096 1.00 0.00 C ATOM 1867 OD1 ASN A 119 9.795 16.083 -7.950 0.08 0.00 O flip ATOM 1868 ND2 ASN A 119 7.639 16.339 -8.522 0.08 0.00 N flip ATOM 0 H ASN A 119 9.975 11.754 -6.530 0.11 0.00 H new ATOM 0 HA ASN A 119 10.252 13.933 -6.844 0.71 0.00 H new ATOM 0 HB2 ASN A 119 8.456 13.551 -8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 119 7.265 14.067 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 119 6.700 15.953 -8.618 0.08 0.00 H new ATOM 0 HD22 ASN A 119 7.821 17.309 -8.779 0.08 0.00 H new ATOM 1875 N SER A 120 8.789 13.696 -4.188 0.40 0.00 N ATOM 1876 CA SER A 120 8.476 14.277 -2.886 0.96 0.00 C ATOM 1877 C SER A 120 8.747 13.275 -1.761 0.16 0.00 C ATOM 1878 O SER A 120 7.838 12.570 -1.320 0.20 0.00 O ATOM 1879 CB SER A 120 7.015 14.730 -2.841 1.00 0.00 C ATOM 1880 OG SER A 120 6.691 15.279 -1.576 0.26 0.00 O ATOM 0 H SER A 120 8.924 12.685 -4.177 0.40 0.00 H new ATOM 0 HA SER A 120 9.121 15.143 -2.740 0.96 0.00 H new ATOM 0 HB2 SER A 120 6.837 15.472 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.362 13.883 -3.052 1.00 0.00 H new ATOM 0 HG SER A 120 5.753 15.562 -1.573 0.26 0.00 H new ATOM 1886 N PRO A 121 10.005 13.196 -1.286 1.00 0.00 N ATOM 1887 CA PRO A 121 10.386 12.272 -0.210 0.91 0.00 C ATOM 1888 C PRO A 121 9.826 12.693 1.146 0.11 0.00 C ATOM 1889 O PRO A 121 9.563 13.873 1.381 0.30 0.00 O ATOM 1890 CB PRO A 121 11.913 12.348 -0.199 0.09 0.00 C ATOM 1891 CG PRO A 121 12.229 13.694 -0.752 0.15 0.00 C ATOM 1892 CD PRO A 121 11.155 13.989 -1.763 0.25 0.00 C ATOM 0 HA PRO A 121 9.995 11.269 -0.381 0.91 0.00 H new ATOM 0 HB2 PRO A 121 12.308 12.232 0.810 0.09 0.00 H new ATOM 0 HB3 PRO A 121 12.353 11.557 -0.806 0.09 0.00 H new ATOM 0 HG2 PRO A 121 12.240 14.447 0.036 0.15 0.00 H new ATOM 0 HG3 PRO A 121 13.215 13.704 -1.216 0.15 0.00 H new ATOM 0 HD2 PRO A 121 10.921 15.053 -1.801 0.25 0.00 H new ATOM 0 HD3 PRO A 121 11.457 13.693 -2.768 0.25 0.00 H new ATOM 1900 N ALA A 122 9.651 11.720 2.036 1.00 0.00 N ATOM 1901 CA ALA A 122 9.124 11.987 3.369 0.09 0.00 C ATOM 1902 C ALA A 122 10.194 11.750 4.429 0.12 0.00 C ATOM 1903 O ALA A 122 10.147 12.327 5.516 1.00 0.00 O ATOM 1904 CB ALA A 122 7.904 11.120 3.640 1.00 0.00 C ATOM 0 H ALA A 122 9.867 10.739 1.857 1.00 0.00 H new ATOM 0 HA ALA A 122 8.823 13.034 3.416 0.09 0.00 H new ATOM 0 HB1 ALA A 122 7.522 11.331 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.131 11.338 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 122 8.183 10.068 3.573 1.00 0.00 H new ATOM 1910 N ASN A 123 11.156 10.893 4.102 1.00 0.00 N ATOM 1911 CA ASN A 123 12.247 10.575 5.015 0.29 0.00 C ATOM 1912 C ASN A 123 13.586 11.012 4.431 0.36 0.00 C ATOM 1913 O ASN A 123 14.114 10.378 3.518 1.00 0.00 O ATOM 1914 CB ASN A 123 12.269 9.076 5.315 1.00 0.00 C ATOM 1915 CG ASN A 123 11.176 8.664 6.281 1.00 0.00 C ATOM 1916 OD1 ASN A 123 10.111 9.279 6.331 0.22 0.00 O ATOM 1917 ND2 ASN A 123 11.434 7.617 7.057 0.92 0.00 N ATOM 0 H ASN A 123 11.201 10.405 3.208 1.00 0.00 H new ATOM 0 HA ASN A 123 12.082 11.119 5.945 0.29 0.00 H new ATOM 0 HB2 ASN A 123 12.156 8.520 4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.239 8.806 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 123 10.736 7.294 7.727 0.92 0.00 H new ATOM 0 HD22 ASN A 123 12.330 7.136 6.983 0.92 0.00 H new ATOM 1924 N SER A 124 14.128 12.103 4.965 0.63 0.00 N ATOM 1925 CA SER A 124 15.404 12.633 4.497 1.00 0.00 C ATOM 1926 C SER A 124 16.551 11.680 4.818 1.00 0.00 C ATOM 1927 O SER A 124 17.487 11.537 4.032 0.68 0.00 O ATOM 1928 CB SER A 124 15.673 14.002 5.124 0.72 0.00 C ATOM 1929 OG SER A 124 14.650 14.925 4.794 0.60 0.00 O ATOM 0 H SER A 124 13.703 12.637 5.723 0.63 0.00 H new ATOM 0 HA SER A 124 15.343 12.740 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.741 13.902 6.207 0.72 0.00 H new ATOM 0 HB3 SER A 124 16.635 14.381 4.778 0.72 0.00 H new ATOM 0 HG SER A 124 14.845 15.791 5.208 0.60 0.00 H new ATOM 1935 N GLN A 125 16.472 11.030 5.976 1.00 0.00 N ATOM 1936 CA GLN A 125 17.510 10.093 6.394 0.36 0.00 C ATOM 1937 C GLN A 125 17.601 8.916 5.428 0.75 0.00 C ATOM 1938 O GLN A 125 18.692 8.541 4.997 0.09 0.00 O ATOM 1939 CB GLN A 125 17.234 9.582 7.811 0.70 0.00 C ATOM 1940 CG GLN A 125 18.334 8.681 8.353 0.11 0.00 C ATOM 1941 CD GLN A 125 18.027 8.149 9.738 0.56 0.00 C ATOM 1942 OE1 GLN A 125 17.330 8.792 10.524 0.08 0.00 O ATOM 1943 NE2 GLN A 125 18.550 6.968 10.047 0.12 0.00 N ATOM 0 H GLN A 125 15.704 11.134 6.639 1.00 0.00 H new ATOM 0 HA GLN A 125 18.462 10.623 6.388 0.36 0.00 H new ATOM 0 HB2 GLN A 125 17.110 10.434 8.479 0.70 0.00 H new ATOM 0 HB3 GLN A 125 16.291 9.035 7.815 0.70 0.00 H new ATOM 0 HG2 GLN A 125 18.480 7.843 7.671 0.11 0.00 H new ATOM 0 HG3 GLN A 125 19.271 9.236 8.381 0.11 0.00 H new ATOM 0 HE21 GLN A 125 19.122 6.469 9.365 0.12 0.00 H new ATOM 0 HE22 GLN A 125 18.380 6.560 10.966 0.12 0.00 H new ATOM 1952 N ALA A 126 16.450 8.341 5.090 1.00 0.00 N ATOM 1953 CA ALA A 126 16.399 7.205 4.175 0.19 0.00 C ATOM 1954 C ALA A 126 17.102 7.525 2.859 0.35 0.00 C ATOM 1955 O ALA A 126 17.987 6.789 2.422 0.69 0.00 O ATOM 1956 CB ALA A 126 14.953 6.798 3.920 0.34 0.00 C ATOM 0 H ALA A 126 15.540 8.644 5.436 1.00 0.00 H new ATOM 0 HA ALA A 126 16.924 6.371 4.641 0.19 0.00 H new ATOM 0 HB1 ALA A 126 14.929 5.950 3.236 0.34 0.00 H new ATOM 0 HB2 ALA A 126 14.482 6.518 4.862 0.34 0.00 H new ATOM 0 HB3 ALA A 126 14.412 7.635 3.479 0.34 0.00 H new ATOM 1962 N ALA A 127 16.700 8.626 2.234 0.25 0.00 N ATOM 1963 CA ALA A 127 17.288 9.051 0.969 0.58 0.00 C ATOM 1964 C ALA A 127 18.766 9.389 1.131 1.00 0.00 C ATOM 1965 O ALA A 127 19.564 9.183 0.216 0.07 0.00 O ATOM 1966 CB ALA A 127 16.534 10.251 0.416 0.68 0.00 C ATOM 0 H ALA A 127 15.967 9.242 2.584 0.25 0.00 H new ATOM 0 HA ALA A 127 17.207 8.222 0.266 0.58 0.00 H new ATOM 0 HB1 ALA A 127 16.983 10.559 -0.529 0.68 0.00 H new ATOM 0 HB2 ALA A 127 15.491 9.981 0.251 0.68 0.00 H new ATOM 0 HB3 ALA A 127 16.588 11.074 1.128 0.68 0.00 H new ATOM 1972 N GLN A 128 19.122 9.914 2.299 0.76 0.00 N ATOM 1973 CA GLN A 128 20.502 10.291 2.581 0.05 0.00 C ATOM 1974 C GLN A 128 21.444 9.102 2.418 0.38 0.00 C ATOM 1975 O GLN A 128 22.508 9.221 1.810 0.07 0.00 O ATOM 1976 CB GLN A 128 20.614 10.856 3.997 0.52 0.00 C ATOM 1977 CG GLN A 128 21.946 11.530 4.282 0.24 0.00 C ATOM 1978 CD GLN A 128 22.094 12.862 3.568 0.24 0.00 C ATOM 1979 OE1 GLN A 128 21.543 13.069 2.488 0.12 0.00 O ATOM 1980 NE2 GLN A 128 22.841 13.777 4.175 0.46 0.00 N ATOM 0 H GLN A 128 18.473 10.088 3.066 0.76 0.00 H new ATOM 0 HA GLN A 128 20.795 11.057 1.863 0.05 0.00 H new ATOM 0 HB2 GLN A 128 19.811 11.576 4.156 0.52 0.00 H new ATOM 0 HB3 GLN A 128 20.465 10.049 4.714 0.52 0.00 H new ATOM 0 HG2 GLN A 128 22.047 11.685 5.356 0.24 0.00 H new ATOM 0 HG3 GLN A 128 22.756 10.867 3.978 0.24 0.00 H new ATOM 0 HE21 GLN A 128 23.280 13.564 5.071 0.46 0.00 H new ATOM 0 HE22 GLN A 128 22.975 14.692 3.746 0.46 0.00 H new ATOM 1989 N LEU A 129 21.046 7.957 2.962 0.06 0.00 N ATOM 1990 CA LEU A 129 21.855 6.746 2.875 0.07 0.00 C ATOM 1991 C LEU A 129 22.099 6.345 1.422 0.20 0.00 C ATOM 1992 O LEU A 129 23.104 5.708 1.107 0.12 0.00 O ATOM 1993 CB LEU A 129 21.175 5.596 3.626 0.10 0.00 C ATOM 1994 CG LEU A 129 21.497 5.506 5.122 1.00 0.00 C ATOM 1995 CD1 LEU A 129 22.979 5.241 5.334 0.34 0.00 C ATOM 1996 CD2 LEU A 129 21.071 6.777 5.843 1.00 0.00 C ATOM 0 H LEU A 129 20.168 7.842 3.468 0.06 0.00 H new ATOM 0 HA LEU A 129 22.819 6.956 3.337 0.07 0.00 H new ATOM 0 HB2 LEU A 129 20.096 5.696 3.509 0.10 0.00 H new ATOM 0 HB3 LEU A 129 21.461 4.656 3.153 0.10 0.00 H new ATOM 0 HG LEU A 129 20.935 4.672 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 129 23.189 5.180 6.402 0.34 0.00 H new ATOM 0 HD12 LEU A 129 23.252 4.300 4.857 0.34 0.00 H new ATOM 0 HD13 LEU A 129 23.560 6.052 4.896 0.34 0.00 H new ATOM 0 HD21 LEU A 129 21.309 6.691 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 129 21.601 7.630 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 129 19.997 6.921 5.723 1.00 0.00 H new ATOM 2008 N TYR A 130 21.176 6.723 0.544 0.22 0.00 N ATOM 2009 CA TYR A 130 21.289 6.396 -0.873 0.55 0.00 C ATOM 2010 C TYR A 130 22.477 7.108 -1.517 0.36 0.00 C ATOM 2011 O TYR A 130 23.144 6.551 -2.389 0.22 0.00 O ATOM 2012 CB TYR A 130 19.997 6.767 -1.605 1.00 0.00 C ATOM 2013 CG TYR A 130 19.987 6.369 -3.065 0.15 0.00 C ATOM 2014 CD1 TYR A 130 19.774 5.050 -3.443 0.12 0.00 C ATOM 2015 CD2 TYR A 130 20.189 7.314 -4.064 0.16 0.00 C ATOM 2016 CE1 TYR A 130 19.762 4.682 -4.775 0.13 0.00 C ATOM 2017 CE2 TYR A 130 20.178 6.954 -5.398 1.00 0.00 C ATOM 2018 CZ TYR A 130 19.965 5.637 -5.748 0.11 0.00 C ATOM 2019 OH TYR A 130 19.951 5.275 -7.076 0.82 0.00 O ATOM 0 H TYR A 130 20.341 7.256 0.789 0.22 0.00 H new ATOM 0 HA TYR A 130 21.455 5.322 -0.955 0.55 0.00 H new ATOM 0 HB2 TYR A 130 19.156 6.290 -1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 130 19.844 7.844 -1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 130 19.615 4.299 -2.683 0.12 0.00 H new ATOM 0 HD2 TYR A 130 20.357 8.346 -3.793 0.16 0.00 H new ATOM 0 HE1 TYR A 130 19.594 3.652 -5.052 0.13 0.00 H new ATOM 0 HE2 TYR A 130 20.335 7.700 -6.163 1.00 0.00 H new ATOM 0 HH TYR A 130 20.109 6.066 -7.632 0.82 0.00 H new ATOM 2029 N GLN A 131 22.737 8.339 -1.086 0.90 0.00 N ATOM 2030 CA GLN A 131 23.845 9.117 -1.633 0.96 0.00 C ATOM 2031 C GLN A 131 25.090 8.992 -0.760 0.71 0.00 C ATOM 2032 O GLN A 131 26.182 9.395 -1.161 0.11 0.00 O ATOM 2033 CB GLN A 131 23.448 10.589 -1.771 0.14 0.00 C ATOM 2034 CG GLN A 131 22.996 11.225 -0.467 0.16 0.00 C ATOM 2035 CD GLN A 131 22.570 12.670 -0.642 0.33 0.00 C ATOM 2036 OE1 GLN A 131 21.405 12.955 -0.922 0.18 0.00 O ATOM 2037 NE2 GLN A 131 23.513 13.591 -0.476 0.91 0.00 N ATOM 0 H GLN A 131 22.199 8.818 -0.364 0.90 0.00 H new ATOM 0 HA GLN A 131 24.078 8.717 -2.620 0.96 0.00 H new ATOM 0 HB2 GLN A 131 24.296 11.150 -2.163 0.14 0.00 H new ATOM 0 HB3 GLN A 131 22.645 10.672 -2.503 0.14 0.00 H new ATOM 0 HG2 GLN A 131 22.165 10.652 -0.056 0.16 0.00 H new ATOM 0 HG3 GLN A 131 23.808 11.174 0.259 0.16 0.00 H new ATOM 0 HE21 GLN A 131 24.466 13.310 -0.244 0.91 0.00 H new ATOM 0 HE22 GLN A 131 23.284 14.580 -0.580 0.91 0.00 H new ATOM 2046 N GLU A 132 24.921 8.432 0.433 1.00 0.00 N ATOM 2047 CA GLU A 132 26.035 8.252 1.357 0.16 0.00 C ATOM 2048 C GLU A 132 26.607 6.844 1.252 0.11 0.00 C ATOM 2049 O GLU A 132 27.688 6.642 0.698 0.54 0.00 O ATOM 2050 CB GLU A 132 25.584 8.526 2.792 0.40 0.00 C ATOM 2051 CG GLU A 132 25.242 9.982 3.056 0.17 0.00 C ATOM 2052 CD GLU A 132 26.417 10.910 2.815 0.08 0.00 C ATOM 2053 OE1 GLU A 132 27.302 10.989 3.693 1.00 0.00 O ATOM 2054 OE2 GLU A 132 26.454 11.558 1.748 0.07 0.00 O ATOM 0 H GLU A 132 24.024 8.095 0.783 1.00 0.00 H new ATOM 0 HA GLU A 132 26.816 8.963 1.087 0.16 0.00 H new ATOM 0 HB2 GLU A 132 24.712 7.911 3.013 0.40 0.00 H new ATOM 0 HB3 GLU A 132 26.374 8.217 3.477 0.40 0.00 H new ATOM 0 HG2 GLU A 132 24.412 10.279 2.415 0.17 0.00 H new ATOM 0 HG3 GLU A 132 24.903 10.091 4.086 0.17 0.00 H new ATOM 2061 N ASN A 133 25.874 5.874 1.788 1.00 0.00 N ATOM 2062 CA ASN A 133 26.306 4.482 1.756 0.40 0.00 C ATOM 2063 C ASN A 133 25.254 3.603 1.089 1.00 0.00 C ATOM 2064 O ASN A 133 24.253 3.240 1.706 0.91 0.00 O ATOM 2065 CB ASN A 133 26.584 3.978 3.174 0.72 0.00 C ATOM 2066 CG ASN A 133 27.801 4.634 3.799 0.07 0.00 C ATOM 2067 OD1 ASN A 133 28.783 4.973 2.971 0.95 0.00 O flip ATOM 2068 ND2 ASN A 133 27.858 4.831 5.012 0.09 0.00 N flip ATOM 0 H ASN A 133 24.978 6.027 2.250 1.00 0.00 H new ATOM 0 HA ASN A 133 27.225 4.426 1.172 0.40 0.00 H new ATOM 0 HB2 ASN A 133 25.712 4.167 3.800 0.72 0.00 H new ATOM 0 HB3 ASN A 133 26.730 2.898 3.150 0.72 0.00 H new ATOM 0 HD21 ASN A 133 27.080 4.554 5.611 0.09 0.00 H new ATOM 0 HD22 ASN A 133 28.683 5.271 5.419 0.09 0.00 H new ATOM 2075 N LYS A 134 25.485 3.267 -0.177 1.00 0.00 N ATOM 2076 CA LYS A 134 24.556 2.430 -0.927 0.10 0.00 C ATOM 2077 C LYS A 134 24.473 1.036 -0.318 0.05 0.00 C ATOM 2078 O LYS A 134 23.399 0.437 -0.262 0.64 0.00 O ATOM 2079 CB LYS A 134 24.985 2.336 -2.392 0.22 0.00 C ATOM 2080 CG LYS A 134 25.042 3.681 -3.095 0.63 0.00 C ATOM 2081 CD LYS A 134 25.477 3.533 -4.545 0.06 0.00 C ATOM 2082 CE LYS A 134 25.558 4.882 -5.241 1.00 0.00 C ATOM 2083 NZ LYS A 134 26.529 5.793 -4.575 0.07 0.00 N ATOM 0 H LYS A 134 26.307 3.562 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 134 23.569 2.890 -0.877 0.10 0.00 H new ATOM 0 HB2 LYS A 134 25.967 1.865 -2.445 0.22 0.00 H new ATOM 0 HB3 LYS A 134 24.291 1.686 -2.924 0.22 0.00 H new ATOM 0 HG2 LYS A 134 24.062 4.156 -3.055 0.63 0.00 H new ATOM 0 HG3 LYS A 134 25.736 4.338 -2.571 0.63 0.00 H new ATOM 0 HD2 LYS A 134 26.449 3.042 -4.586 0.06 0.00 H new ATOM 0 HD3 LYS A 134 24.773 2.891 -5.074 0.06 0.00 H new ATOM 0 HE2 LYS A 134 25.851 4.737 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 134 24.572 5.346 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 26.747 6.590 -5.207 0.07 0.00 H new ATOM 0 HZ2 LYS A 134 26.116 6.154 -3.691 0.07 0.00 H new ATOM 0 HZ3 LYS A 134 27.403 5.272 -4.361 0.07 0.00 H new ATOM 2097 N ARG A 135 25.614 0.525 0.133 0.75 0.00 N ATOM 2098 CA ARG A 135 25.674 -0.799 0.740 1.00 0.00 C ATOM 2099 C ARG A 135 24.737 -0.889 1.939 0.09 0.00 C ATOM 2100 O ARG A 135 24.037 -1.885 2.119 0.92 0.00 O ATOM 2101 CB ARG A 135 27.106 -1.121 1.169 0.89 0.00 C ATOM 2102 CG ARG A 135 28.108 -1.103 0.024 0.18 0.00 C ATOM 2103 CD ARG A 135 27.836 -2.218 -0.975 0.26 0.00 C ATOM 2104 NE ARG A 135 28.779 -2.196 -2.089 0.16 0.00 N ATOM 2105 CZ ARG A 135 28.658 -2.957 -3.173 0.05 0.00 C ATOM 2106 NH1 ARG A 135 27.634 -3.791 -3.290 0.06 0.00 N ATOM 2107 NH2 ARG A 135 29.560 -2.883 -4.141 0.87 0.00 N ATOM 0 H ARG A 135 26.511 1.009 0.089 0.75 0.00 H new ATOM 0 HA ARG A 135 25.353 -1.529 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 135 27.419 -0.401 1.925 0.89 0.00 H new ATOM 0 HB3 ARG A 135 27.122 -2.105 1.639 0.89 0.00 H new ATOM 0 HG2 ARG A 135 28.064 -0.140 -0.484 0.18 0.00 H new ATOM 0 HG3 ARG A 135 29.118 -1.208 0.421 0.18 0.00 H new ATOM 0 HD2 ARG A 135 27.896 -3.181 -0.468 0.26 0.00 H new ATOM 0 HD3 ARG A 135 26.820 -2.122 -1.358 0.26 0.00 H new ATOM 0 HE ARG A 135 29.576 -1.561 -2.033 0.16 0.00 H new ATOM 0 HH11 ARG A 135 26.937 -3.850 -2.548 0.06 0.00 H new ATOM 0 HH12 ARG A 135 27.543 -4.374 -4.122 0.06 0.00 H new ATOM 0 HH21 ARG A 135 30.349 -2.242 -4.055 0.87 0.00 H new ATOM 0 HH22 ARG A 135 29.466 -3.467 -4.972 0.87 0.00 H new ATOM 2121 N GLU A 136 24.728 0.160 2.756 0.45 0.00 N ATOM 2122 CA GLU A 136 23.877 0.201 3.939 0.53 0.00 C ATOM 2123 C GLU A 136 22.407 0.109 3.540 0.09 0.00 C ATOM 2124 O GLU A 136 21.598 -0.500 4.242 0.55 0.00 O ATOM 2125 CB GLU A 136 24.132 1.490 4.726 0.05 0.00 C ATOM 2126 CG GLU A 136 23.761 1.401 6.200 1.00 0.00 C ATOM 2127 CD GLU A 136 22.268 1.271 6.425 0.17 0.00 C ATOM 2128 OE1 GLU A 136 21.548 2.271 6.221 0.08 0.00 O ATOM 2129 OE2 GLU A 136 21.819 0.171 6.809 0.39 0.00 O ATOM 0 H GLU A 136 25.301 0.993 2.620 0.45 0.00 H new ATOM 0 HA GLU A 136 24.118 -0.652 4.573 0.53 0.00 H new ATOM 0 HB2 GLU A 136 25.187 1.751 4.643 0.05 0.00 H new ATOM 0 HB3 GLU A 136 23.566 2.301 4.268 0.05 0.00 H new ATOM 0 HG2 GLU A 136 24.267 0.544 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 136 24.125 2.290 6.716 1.00 0.00 H new ATOM 2136 N TYR A 137 22.072 0.709 2.402 0.71 0.00 N ATOM 2137 CA TYR A 137 20.700 0.700 1.902 0.74 0.00 C ATOM 2138 C TYR A 137 20.278 -0.707 1.491 0.67 0.00 C ATOM 2139 O TYR A 137 19.198 -1.173 1.858 0.16 0.00 O ATOM 2140 CB TYR A 137 20.566 1.653 0.711 0.26 0.00 C ATOM 2141 CG TYR A 137 19.146 1.818 0.214 1.00 0.00 C ATOM 2142 CD1 TYR A 137 18.617 0.954 -0.739 0.17 0.00 C ATOM 2143 CD2 TYR A 137 18.336 2.838 0.698 0.06 0.00 C ATOM 2144 CE1 TYR A 137 17.320 1.105 -1.195 0.17 0.00 C ATOM 2145 CE2 TYR A 137 17.039 2.993 0.246 0.06 0.00 C ATOM 2146 CZ TYR A 137 16.536 2.124 -0.700 0.12 0.00 C ATOM 2147 OH TYR A 137 15.246 2.277 -1.151 0.06 0.00 O ATOM 0 H TYR A 137 22.733 1.209 1.807 0.71 0.00 H new ATOM 0 HA TYR A 137 20.044 1.035 2.706 0.74 0.00 H new ATOM 0 HB2 TYR A 137 20.957 2.630 0.994 0.26 0.00 H new ATOM 0 HB3 TYR A 137 21.186 1.286 -0.107 0.26 0.00 H new ATOM 0 HD1 TYR A 137 19.228 0.153 -1.129 0.17 0.00 H new ATOM 0 HD2 TYR A 137 18.726 3.520 1.439 0.06 0.00 H new ATOM 0 HE1 TYR A 137 16.923 0.427 -1.936 0.17 0.00 H new ATOM 0 HE2 TYR A 137 16.422 3.791 0.632 0.06 0.00 H new ATOM 0 HH TYR A 137 14.883 1.403 -1.406 0.06 0.00 H new ATOM 2157 N GLU A 138 21.136 -1.380 0.729 0.72 0.00 N ATOM 2158 CA GLU A 138 20.850 -2.733 0.262 0.50 0.00 C ATOM 2159 C GLU A 138 20.595 -3.672 1.435 1.00 0.00 C ATOM 2160 O GLU A 138 19.694 -4.508 1.391 0.06 0.00 O ATOM 2161 CB GLU A 138 22.011 -3.262 -0.580 0.46 0.00 C ATOM 2162 CG GLU A 138 22.418 -2.332 -1.710 0.28 0.00 C ATOM 2163 CD GLU A 138 23.491 -2.929 -2.599 0.25 0.00 C ATOM 2164 OE1 GLU A 138 23.134 -3.634 -3.567 1.00 0.00 O ATOM 2165 OE2 GLU A 138 24.686 -2.695 -2.325 0.24 0.00 O ATOM 0 H GLU A 138 22.036 -1.010 0.422 0.72 0.00 H new ATOM 0 HA GLU A 138 19.951 -2.693 -0.353 0.50 0.00 H new ATOM 0 HB2 GLU A 138 22.871 -3.430 0.068 0.46 0.00 H new ATOM 0 HB3 GLU A 138 21.733 -4.229 -0.999 0.46 0.00 H new ATOM 0 HG2 GLU A 138 21.542 -2.095 -2.314 0.28 0.00 H new ATOM 0 HG3 GLU A 138 22.780 -1.393 -1.290 0.28 0.00 H new ATOM 2172 N LYS A 139 21.399 -3.528 2.482 0.63 0.00 N ATOM 2173 CA LYS A 139 21.266 -4.362 3.670 1.00 0.00 C ATOM 2174 C LYS A 139 19.899 -4.173 4.319 1.00 0.00 C ATOM 2175 O LYS A 139 19.359 -5.093 4.932 0.57 0.00 O ATOM 2176 CB LYS A 139 22.373 -4.030 4.670 1.00 0.00 C ATOM 2177 CG LYS A 139 23.771 -4.309 4.141 0.09 0.00 C ATOM 2178 CD LYS A 139 24.003 -5.797 3.937 0.17 0.00 C ATOM 2179 CE LYS A 139 25.385 -6.073 3.369 0.50 0.00 C ATOM 2180 NZ LYS A 139 25.565 -5.455 2.026 0.12 0.00 N ATOM 0 H LYS A 139 22.151 -2.840 2.532 0.63 0.00 H new ATOM 0 HA LYS A 139 21.358 -5.405 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 139 22.300 -2.978 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 139 22.215 -4.609 5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 139 23.915 -3.784 3.196 0.09 0.00 H new ATOM 0 HG3 LYS A 139 24.510 -3.917 4.839 0.09 0.00 H new ATOM 0 HD2 LYS A 139 23.889 -6.318 4.888 0.17 0.00 H new ATOM 0 HD3 LYS A 139 23.245 -6.195 3.262 0.17 0.00 H new ATOM 0 HE2 LYS A 139 26.142 -5.687 4.051 0.50 0.00 H new ATOM 0 HE3 LYS A 139 25.540 -7.150 3.297 0.50 0.00 H new ATOM 0 HZ1 LYS A 139 26.402 -5.865 1.564 0.12 0.00 H new ATOM 0 HZ2 LYS A 139 24.723 -5.639 1.444 0.12 0.00 H new ATOM 0 HZ3 LYS A 139 25.696 -4.429 2.131 0.12 0.00 H new ATOM 2194 N ARG A 140 19.345 -2.973 4.180 0.34 0.00 N ATOM 2195 CA ARG A 140 18.039 -2.662 4.751 0.12 0.00 C ATOM 2196 C ARG A 140 16.919 -3.279 3.920 0.21 0.00 C ATOM 2197 O ARG A 140 15.872 -3.650 4.452 1.00 0.00 O ATOM 2198 CB ARG A 140 17.848 -1.146 4.845 1.00 0.00 C ATOM 2199 CG ARG A 140 18.821 -0.466 5.793 0.13 0.00 C ATOM 2200 CD ARG A 140 18.561 -0.855 7.241 0.09 0.00 C ATOM 2201 NE ARG A 140 19.459 -0.163 8.161 0.07 0.00 N ATOM 2202 CZ ARG A 140 19.578 -0.470 9.450 0.15 0.00 C ATOM 2203 NH1 ARG A 140 18.857 -1.452 9.972 0.17 0.00 N ATOM 2204 NH2 ARG A 140 20.420 0.207 10.218 0.62 0.00 N ATOM 0 H ARG A 140 19.780 -2.200 3.677 0.34 0.00 H new ATOM 0 HA ARG A 140 17.998 -3.089 5.753 0.12 0.00 H new ATOM 0 HB2 ARG A 140 17.959 -0.712 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 140 16.829 -0.936 5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 140 19.842 -0.735 5.522 0.13 0.00 H new ATOM 0 HG3 ARG A 140 18.737 0.616 5.686 0.13 0.00 H new ATOM 0 HD2 ARG A 140 17.528 -0.623 7.499 0.09 0.00 H new ATOM 0 HD3 ARG A 140 18.684 -1.932 7.355 0.09 0.00 H new ATOM 0 HE ARG A 140 20.028 0.600 7.794 0.07 0.00 H new ATOM 0 HH11 ARG A 140 18.208 -1.976 9.385 0.17 0.00 H new ATOM 0 HH12 ARG A 140 18.951 -1.684 10.961 0.17 0.00 H new ATOM 0 HH21 ARG A 140 20.977 0.964 9.821 0.62 0.00 H new ATOM 0 HH22 ARG A 140 20.511 -0.029 11.206 0.62 0.00 H new ATOM 2218 N VAL A 141 17.146 -3.383 2.615 0.68 0.00 N ATOM 2219 CA VAL A 141 16.156 -3.955 1.710 1.00 0.00 C ATOM 2220 C VAL A 141 16.045 -5.463 1.910 1.00 0.00 C ATOM 2221 O VAL A 141 14.946 -6.004 2.031 1.00 0.00 O ATOM 2222 CB VAL A 141 16.507 -3.667 0.237 0.07 0.00 C ATOM 2223 CG1 VAL A 141 15.461 -4.265 -0.692 0.27 0.00 C ATOM 2224 CG2 VAL A 141 16.641 -2.169 0.004 1.00 0.00 C ATOM 0 H VAL A 141 18.007 -3.079 2.160 0.68 0.00 H new ATOM 0 HA VAL A 141 15.200 -3.486 1.944 1.00 0.00 H new ATOM 0 HB VAL A 141 17.466 -4.136 0.015 0.07 0.00 H new ATOM 0 HG11 VAL A 141 15.728 -4.050 -1.727 0.27 0.00 H new ATOM 0 HG12 VAL A 141 15.418 -5.344 -0.545 0.27 0.00 H new ATOM 0 HG13 VAL A 141 14.486 -3.830 -0.471 0.27 0.00 H new ATOM 0 HG21 VAL A 141 16.889 -1.984 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 141 15.699 -1.677 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.431 -1.771 0.640 1.00 0.00 H new ATOM 2234 N SER A 142 17.190 -6.135 1.944 1.00 0.00 N ATOM 2235 CA SER A 142 17.225 -7.581 2.125 0.05 0.00 C ATOM 2236 C SER A 142 16.639 -7.978 3.477 0.48 0.00 C ATOM 2237 O SER A 142 16.070 -9.059 3.624 0.80 0.00 O ATOM 2238 CB SER A 142 18.661 -8.095 2.011 0.87 0.00 C ATOM 2239 OG SER A 142 19.494 -7.504 2.993 1.00 0.00 O ATOM 0 H SER A 142 18.108 -5.700 1.848 1.00 0.00 H new ATOM 0 HA SER A 142 16.619 -8.033 1.340 0.05 0.00 H new ATOM 0 HB2 SER A 142 18.673 -9.179 2.125 0.87 0.00 H new ATOM 0 HB3 SER A 142 19.052 -7.874 1.018 0.87 0.00 H new ATOM 0 HG SER A 142 20.406 -7.850 2.900 1.00 0.00 H new ATOM 2245 N ALA A 143 16.779 -7.095 4.460 1.00 0.00 N ATOM 2246 CA ALA A 143 16.272 -7.356 5.803 0.26 0.00 C ATOM 2247 C ALA A 143 14.747 -7.328 5.846 0.94 0.00 C ATOM 2248 O ALA A 143 14.114 -8.293 6.273 0.08 0.00 O ATOM 2249 CB ALA A 143 16.845 -6.347 6.786 1.00 0.00 C ATOM 0 H ALA A 143 17.240 -6.191 4.352 1.00 0.00 H new ATOM 0 HA ALA A 143 16.592 -8.358 6.089 0.26 0.00 H new ATOM 0 HB1 ALA A 143 16.459 -6.552 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 143 17.932 -6.424 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 143 16.555 -5.340 6.485 1.00 0.00 H new ATOM 2255 N ILE A 144 14.163 -6.218 5.400 0.12 0.00 N ATOM 2256 CA ILE A 144 12.712 -6.064 5.404 1.00 0.00 C ATOM 2257 C ILE A 144 12.027 -7.132 4.555 1.00 0.00 C ATOM 2258 O ILE A 144 10.914 -7.560 4.863 1.00 0.00 O ATOM 2259 CB ILE A 144 12.290 -4.671 4.894 1.00 0.00 C ATOM 2260 CG1 ILE A 144 12.758 -4.462 3.450 0.15 0.00 C ATOM 2261 CG2 ILE A 144 12.850 -3.586 5.803 0.15 0.00 C ATOM 2262 CD1 ILE A 144 12.248 -3.181 2.824 0.10 0.00 C ATOM 0 H ILE A 144 14.672 -5.414 5.032 0.12 0.00 H new ATOM 0 HA ILE A 144 12.395 -6.178 6.441 1.00 0.00 H new ATOM 0 HB ILE A 144 11.202 -4.609 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 144 13.848 -4.458 3.428 0.15 0.00 H new ATOM 0 HG13 ILE A 144 12.430 -5.307 2.845 0.15 0.00 H new ATOM 0 HG21 ILE A 144 12.545 -2.607 5.432 0.15 0.00 H new ATOM 0 HG22 ILE A 144 12.468 -3.726 6.814 0.15 0.00 H new ATOM 0 HG23 ILE A 144 13.938 -3.647 5.814 0.15 0.00 H new ATOM 0 HD11 ILE A 144 12.620 -3.102 1.803 0.10 0.00 H new ATOM 0 HD12 ILE A 144 11.158 -3.190 2.813 0.10 0.00 H new ATOM 0 HD13 ILE A 144 12.598 -2.328 3.405 0.10 0.00 H new ATOM 2274 N VAL A 145 12.695 -7.562 3.490 0.10 0.00 N ATOM 2275 CA VAL A 145 12.140 -8.577 2.601 0.29 0.00 C ATOM 2276 C VAL A 145 12.129 -9.952 3.266 0.05 0.00 C ATOM 2277 O VAL A 145 11.127 -10.663 3.215 0.09 0.00 O ATOM 2278 CB VAL A 145 12.923 -8.653 1.273 1.00 0.00 C ATOM 2279 CG1 VAL A 145 12.501 -9.868 0.462 0.22 0.00 C ATOM 2280 CG2 VAL A 145 12.725 -7.378 0.469 0.06 0.00 C ATOM 0 H VAL A 145 13.619 -7.225 3.221 0.10 0.00 H new ATOM 0 HA VAL A 145 11.113 -8.281 2.386 0.29 0.00 H new ATOM 0 HB VAL A 145 13.983 -8.756 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 145 13.067 -9.899 -0.469 0.22 0.00 H new ATOM 0 HG12 VAL A 145 12.696 -10.774 1.036 0.22 0.00 H new ATOM 0 HG13 VAL A 145 11.436 -9.803 0.237 0.22 0.00 H new ATOM 0 HG21 VAL A 145 13.283 -7.446 -0.465 0.06 0.00 H new ATOM 0 HG22 VAL A 145 11.665 -7.247 0.250 0.06 0.00 H new ATOM 0 HG23 VAL A 145 13.084 -6.525 1.045 0.06 0.00 H new ATOM 2290 N GLU A 146 13.246 -10.319 3.889 0.64 0.00 N ATOM 2291 CA GLU A 146 13.357 -11.612 4.558 0.33 0.00 C ATOM 2292 C GLU A 146 12.348 -11.736 5.697 0.16 0.00 C ATOM 2293 O GLU A 146 11.853 -12.827 5.981 0.39 0.00 O ATOM 2294 CB GLU A 146 14.776 -11.816 5.093 0.12 0.00 C ATOM 2295 CG GLU A 146 15.802 -12.089 4.005 1.00 0.00 C ATOM 2296 CD GLU A 146 15.558 -13.404 3.289 0.60 0.00 C ATOM 2297 OE1 GLU A 146 14.769 -13.414 2.320 0.07 0.00 O ATOM 2298 OE2 GLU A 146 16.155 -14.422 3.699 1.00 0.00 O ATOM 0 H GLU A 146 14.085 -9.741 3.944 0.64 0.00 H new ATOM 0 HA GLU A 146 13.137 -12.386 3.823 0.33 0.00 H new ATOM 0 HB2 GLU A 146 15.077 -10.929 5.650 0.12 0.00 H new ATOM 0 HB3 GLU A 146 14.774 -12.649 5.796 0.12 0.00 H new ATOM 0 HG2 GLU A 146 15.782 -11.276 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 146 16.799 -12.099 4.445 1.00 0.00 H new ATOM 2305 N GLN A 147 12.045 -10.615 6.345 1.00 0.00 N ATOM 2306 CA GLN A 147 11.095 -10.608 7.451 0.06 0.00 C ATOM 2307 C GLN A 147 9.672 -10.840 6.952 0.85 0.00 C ATOM 2308 O GLN A 147 8.886 -11.534 7.597 0.25 0.00 O ATOM 2309 CB GLN A 147 11.174 -9.284 8.212 1.00 0.00 C ATOM 2310 CG GLN A 147 12.509 -9.062 8.906 0.05 0.00 C ATOM 2311 CD GLN A 147 12.570 -7.741 9.647 0.57 0.00 C ATOM 2312 OE1 GLN A 147 12.971 -6.721 9.087 0.17 0.00 O ATOM 2313 NE2 GLN A 147 12.171 -7.755 10.913 0.12 0.00 N ATOM 0 H GLN A 147 12.443 -9.702 6.124 1.00 0.00 H new ATOM 0 HA GLN A 147 11.358 -11.422 8.126 0.06 0.00 H new ATOM 0 HB2 GLN A 147 10.994 -8.464 7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 147 10.377 -9.253 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 147 12.689 -9.876 9.608 0.05 0.00 H new ATOM 0 HG3 GLN A 147 13.309 -9.096 8.166 0.05 0.00 H new ATOM 0 HE21 GLN A 147 11.846 -8.625 11.336 0.12 0.00 H new ATOM 0 HE22 GLN A 147 12.189 -6.896 11.463 0.12 0.00 H new ATOM 2322 N SER A 148 9.349 -10.258 5.802 0.12 0.00 N ATOM 2323 CA SER A 148 8.020 -10.404 5.218 0.16 0.00 C ATOM 2324 C SER A 148 8.034 -11.429 4.087 0.84 0.00 C ATOM 2325 O SER A 148 7.098 -11.503 3.290 0.23 0.00 O ATOM 2326 CB SER A 148 7.522 -9.056 4.693 0.15 0.00 C ATOM 2327 OG SER A 148 6.201 -9.158 4.189 0.21 0.00 O ATOM 0 H SER A 148 9.989 -9.681 5.256 0.12 0.00 H new ATOM 0 HA SER A 148 7.343 -10.756 5.996 0.16 0.00 H new ATOM 0 HB2 SER A 148 7.552 -8.317 5.494 0.15 0.00 H new ATOM 0 HB3 SER A 148 8.188 -8.701 3.906 0.15 0.00 H new ATOM 0 HG SER A 148 6.110 -9.987 3.674 0.21 0.00 H new ATOM 2333 N TRP A 149 9.098 -12.223 4.029 0.60 0.00 N ATOM 2334 CA TRP A 149 9.238 -13.243 2.995 0.11 0.00 C ATOM 2335 C TRP A 149 8.321 -14.429 3.281 0.15 0.00 C ATOM 2336 O TRP A 149 7.753 -14.537 4.368 0.07 0.00 O ATOM 2337 CB TRP A 149 10.694 -13.708 2.908 0.18 0.00 C ATOM 2338 CG TRP A 149 11.073 -14.242 1.561 0.10 0.00 C ATOM 2339 CD1 TRP A 149 11.188 -13.531 0.401 0.38 0.00 C ATOM 2340 CD2 TRP A 149 11.393 -15.599 1.235 0.89 0.00 C ATOM 2341 NE1 TRP A 149 11.557 -14.364 -0.627 0.19 0.00 N ATOM 2342 CE2 TRP A 149 11.689 -15.638 -0.141 0.24 0.00 C ATOM 2343 CE3 TRP A 149 11.457 -16.784 1.972 0.29 0.00 C ATOM 2344 CZ2 TRP A 149 12.044 -16.816 -0.793 0.31 0.00 C ATOM 2345 CZ3 TRP A 149 11.809 -17.953 1.324 0.08 0.00 C ATOM 2346 CH2 TRP A 149 12.099 -17.961 -0.046 1.00 0.00 C ATOM 0 H TRP A 149 9.877 -12.180 4.686 0.60 0.00 H new ATOM 0 HA TRP A 149 8.948 -12.808 2.039 0.11 0.00 H new ATOM 0 HB2 TRP A 149 11.349 -12.873 3.156 0.18 0.00 H new ATOM 0 HB3 TRP A 149 10.865 -14.481 3.657 0.18 0.00 H new ATOM 0 HD1 TRP A 149 11.014 -12.469 0.306 0.38 0.00 H new ATOM 0 HE1 TRP A 149 11.708 -14.080 -1.595 0.19 0.00 H new ATOM 0 HE3 TRP A 149 11.235 -16.787 3.029 0.29 0.00 H new ATOM 0 HZ2 TRP A 149 12.268 -16.826 -1.850 0.31 0.00 H new ATOM 0 HZ3 TRP A 149 11.861 -18.875 1.883 0.08 0.00 H new ATOM 0 HH2 TRP A 149 12.372 -18.891 -0.523 1.00 0.00 H new ATOM 2357 N ASN A 150 8.182 -15.315 2.300 0.07 0.00 N ATOM 2358 CA ASN A 150 7.331 -16.492 2.444 0.13 0.00 C ATOM 2359 C ASN A 150 7.858 -17.422 3.533 0.05 0.00 C ATOM 2360 O ASN A 150 8.923 -18.023 3.386 0.16 0.00 O ATOM 2361 CB ASN A 150 7.235 -17.249 1.117 0.09 0.00 C ATOM 2362 CG ASN A 150 6.638 -16.406 0.006 0.06 0.00 C ATOM 2363 OD1 ASN A 150 6.788 -15.185 -0.013 0.53 0.00 O ATOM 2364 ND2 ASN A 150 5.955 -17.057 -0.929 0.06 0.00 N ATOM 0 H ASN A 150 8.648 -15.241 1.396 0.07 0.00 H new ATOM 0 HA ASN A 150 6.337 -16.150 2.733 0.13 0.00 H new ATOM 0 HB2 ASN A 150 8.229 -17.583 0.821 0.09 0.00 H new ATOM 0 HB3 ASN A 150 6.627 -18.143 1.256 0.09 0.00 H new ATOM 0 HD21 ASN A 150 5.531 -16.543 -1.701 0.06 0.00 H new ATOM 0 HD22 ASN A 150 5.855 -18.071 -0.875 0.06 0.00 H new ATOM 2371 N ASP A 151 7.106 -17.536 4.624 0.05 0.00 N ATOM 2372 CA ASP A 151 7.496 -18.400 5.734 0.07 0.00 C ATOM 2373 C ASP A 151 6.940 -19.806 5.545 1.00 0.00 C ATOM 2374 O ASP A 151 7.672 -20.793 5.636 0.19 0.00 O ATOM 2375 CB ASP A 151 7.005 -17.821 7.062 0.73 0.00 C ATOM 2376 CG ASP A 151 7.371 -18.699 8.243 1.00 0.00 C ATOM 2377 OD1 ASP A 151 8.492 -18.547 8.772 1.00 0.00 O ATOM 2378 OD2 ASP A 151 6.536 -19.540 8.639 0.13 0.00 O ATOM 0 H ASP A 151 6.225 -17.042 4.763 0.05 0.00 H new ATOM 0 HA ASP A 151 8.584 -18.454 5.753 0.07 0.00 H new ATOM 0 HB2 ASP A 151 7.433 -16.829 7.203 0.73 0.00 H new ATOM 0 HB3 ASP A 151 5.923 -17.699 7.025 0.73 0.00 H new ATOM 2383 N SER A 152 5.639 -19.889 5.280 0.19 0.00 N ATOM 2384 CA SER A 152 4.980 -21.172 5.075 0.12 0.00 C ATOM 2385 C SER A 152 4.419 -21.275 3.660 1.00 0.00 C ATOM 2386 O SER A 152 5.134 -21.797 2.777 0.06 0.00 O ATOM 2387 CB SER A 152 3.857 -21.359 6.098 0.08 0.00 C ATOM 2388 OG SER A 152 4.356 -21.296 7.423 0.73 0.00 O ATOM 2389 OXT SER A 152 3.271 -20.833 3.444 0.39 0.00 O ATOM 0 H SER A 152 5.021 -19.081 5.202 0.19 0.00 H new ATOM 0 HA SER A 152 5.721 -21.960 5.210 0.12 0.00 H new ATOM 0 HB2 SER A 152 3.099 -20.589 5.955 0.08 0.00 H new ATOM 0 HB3 SER A 152 3.369 -22.320 5.935 0.08 0.00 H new ATOM 0 HG SER A 152 5.029 -20.586 7.486 0.73 0.00 H new TER 2395 SER A 152