USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 GLN : amide:sc= -1.02 X(o=-1,f=-0.81) USER MOD Set 1.2: A 128 GLN : amide:sc= 0 K(o=-1,f=-1.8) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.232 X(o=-0.31,f=-0.58) USER MOD Set 2.2: A 35 GLN : amide:sc= -0.0771 K(o=-0.31,f=-6.6!) USER MOD Single : A 3 THR OG1 : rot -18:sc= 0.292 USER MOD Single : A 10 MET CE :methyl 145:sc= -0.208 (180deg=-0.739) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00311) USER MOD Single : A 17 GLN : amide:sc=-2.99e-05 X(o=-3e-05,f=-3e-05) 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 32 ASN : amide:sc= -0.0431 K(o=-0.043,f=-0.65) USER MOD Single : A 34 MET CE :methyl 165:sc= -0.0614 (180deg=-0.398) USER MOD Single : A 37 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.0054) USER MOD Single : A 46 THR OG1 : rot -67:sc= 0.764 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.391 (180deg=-0.455) USER MOD Single : A 60 SER OG : rot 160:sc= -0.945 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.064) USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= -1.02 (180deg=-1.94) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0282 (180deg=-0.333) USER MOD Single : A 76 MET CE :methyl 150:sc= 0 (180deg=-0.173) USER MOD Single : A 78 HIS : no HE2:sc= -0.141 K(o=-0.14,f=-0.72) USER MOD Single : A 80 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.7) 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= -0.13 X(o=-0.13,f=-0.069) USER MOD Single : A 94 ASN : amide:sc= -0.608 K(o=-0.61,f=-0.07) 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 USER MOD Single : A 104 SER OG : rot 151:sc= 0.462 USER MOD Single : A 107 THR OG1 : rot -5:sc= 0.7 USER MOD Single : A 108 SER OG : rot 58:sc= 1.31 USER MOD Single : A 110 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 111 SER OG : rot 72:sc= 1.07 USER MOD Single : A 123 ASN : amide:sc= 0.594 K(o=0.59,f=-3.9!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 163:sc= -0.0635 (180deg=-0.403) USER MOD Single : A 142 SER OG : rot -14:sc= 0.471 USER MOD Single : A 147 GLN : amide:sc= -0.0977 K(o=-0.098,f=-0.67) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.633 3.106 6.152 0.52 0.00 N ATOM 32 CA THR A 3 -24.056 4.331 5.611 0.23 0.00 C ATOM 33 C THR A 3 -23.754 4.190 4.120 1.00 0.00 C ATOM 34 O THR A 3 -23.582 3.080 3.619 0.35 0.00 O ATOM 35 CB THR A 3 -22.763 4.718 6.351 1.00 0.00 C ATOM 36 OG1 THR A 3 -22.039 3.541 6.728 0.13 0.00 O ATOM 37 CG2 THR A 3 -23.074 5.552 7.583 0.38 0.00 C ATOM 0 HA THR A 3 -24.797 5.117 5.754 0.23 0.00 H new ATOM 0 HB THR A 3 -22.149 5.315 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 3 -22.636 2.764 6.693 0.13 0.00 H new ATOM 0 HG21 THR A 3 -22.145 5.813 8.089 0.38 0.00 H new ATOM 0 HG22 THR A 3 -23.593 6.463 7.284 0.38 0.00 H new ATOM 0 HG23 THR A 3 -23.707 4.979 8.260 0.38 0.00 H new ATOM 45 N PRO A 4 -23.687 5.320 3.390 1.00 0.00 N ATOM 46 CA PRO A 4 -23.404 5.316 1.950 0.06 0.00 C ATOM 47 C PRO A 4 -22.044 4.707 1.628 1.00 0.00 C ATOM 48 O PRO A 4 -21.862 4.092 0.576 0.06 0.00 O ATOM 49 CB PRO A 4 -23.426 6.802 1.569 0.12 0.00 C ATOM 50 CG PRO A 4 -23.235 7.536 2.852 1.00 0.00 C ATOM 51 CD PRO A 4 -23.881 6.687 3.905 0.10 0.00 C ATOM 0 HA PRO A 4 -24.126 4.713 1.400 0.06 0.00 H new ATOM 0 HB2 PRO A 4 -22.634 7.038 0.858 0.12 0.00 H new ATOM 0 HB3 PRO A 4 -24.370 7.074 1.096 0.12 0.00 H new ATOM 0 HG2 PRO A 4 -22.176 7.685 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -23.694 8.524 2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.410 6.823 4.879 0.10 0.00 H new ATOM 0 HD3 PRO A 4 -24.937 6.927 4.026 0.10 0.00 H new ATOM 59 N ALA A 5 -21.092 4.879 2.538 1.00 0.00 N ATOM 60 CA ALA A 5 -19.746 4.350 2.349 0.34 0.00 C ATOM 61 C ALA A 5 -19.746 2.824 2.354 1.00 0.00 C ATOM 62 O ALA A 5 -19.016 2.192 1.590 0.42 0.00 O ATOM 63 CB ALA A 5 -18.816 4.882 3.430 0.08 0.00 C ATOM 0 H ALA A 5 -21.227 5.381 3.415 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.386 4.682 1.375 0.34 0.00 H new ATOM 0 HB1 ALA A 5 -17.814 4.480 3.278 0.08 0.00 H new ATOM 0 HB2 ALA A 5 -18.782 5.970 3.378 0.08 0.00 H new ATOM 0 HB3 ALA A 5 -19.185 4.577 4.409 0.08 0.00 H new ATOM 69 N ARG A 6 -20.572 2.241 3.216 1.00 0.00 N ATOM 70 CA ARG A 6 -20.667 0.789 3.328 0.11 0.00 C ATOM 71 C ARG A 6 -21.197 0.174 2.038 0.17 0.00 C ATOM 72 O ARG A 6 -20.736 -0.884 1.609 0.14 0.00 O ATOM 73 CB ARG A 6 -21.580 0.410 4.497 0.99 0.00 C ATOM 74 CG ARG A 6 -21.585 -1.078 4.808 0.92 0.00 C ATOM 75 CD ARG A 6 -22.621 -1.419 5.868 0.09 0.00 C ATOM 76 NE ARG A 6 -22.539 -2.815 6.285 0.10 0.00 N ATOM 77 CZ ARG A 6 -23.365 -3.372 7.166 0.05 0.00 C ATOM 78 NH1 ARG A 6 -24.333 -2.653 7.720 0.21 0.00 N ATOM 79 NH2 ARG A 6 -23.223 -4.649 7.495 0.59 0.00 N ATOM 0 H ARG A 6 -21.187 2.753 3.849 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.666 0.397 3.510 0.11 0.00 H new ATOM 0 HB2 ARG A 6 -21.265 0.957 5.385 0.99 0.00 H new ATOM 0 HB3 ARG A 6 -22.597 0.729 4.271 0.99 0.00 H new ATOM 0 HG2 ARG A 6 -21.794 -1.641 3.898 0.92 0.00 H new ATOM 0 HG3 ARG A 6 -20.597 -1.383 5.152 0.92 0.00 H new ATOM 0 HD2 ARG A 6 -22.479 -0.773 6.734 0.09 0.00 H new ATOM 0 HD3 ARG A 6 -23.618 -1.215 5.479 0.09 0.00 H new ATOM 0 HE ARG A 6 -21.807 -3.397 5.878 0.10 0.00 H new ATOM 0 HH11 ARG A 6 -24.445 -1.670 7.470 0.21 0.00 H new ATOM 0 HH12 ARG A 6 -24.965 -3.083 8.395 0.21 0.00 H new ATOM 0 HH21 ARG A 6 -22.480 -5.205 7.072 0.59 0.00 H new ATOM 0 HH22 ARG A 6 -23.857 -5.075 8.171 0.59 0.00 H new ATOM 93 N ARG A 7 -22.169 0.842 1.426 1.00 0.00 N ATOM 94 CA ARG A 7 -22.767 0.362 0.186 0.35 0.00 C ATOM 95 C ARG A 7 -21.735 0.304 -0.937 0.97 0.00 C ATOM 96 O ARG A 7 -21.818 -0.545 -1.825 0.07 0.00 O ATOM 97 CB ARG A 7 -23.926 1.272 -0.221 0.05 0.00 C ATOM 98 CG ARG A 7 -25.111 1.211 0.731 0.18 0.00 C ATOM 99 CD ARG A 7 -26.205 2.183 0.318 0.20 0.00 C ATOM 100 NE ARG A 7 -26.668 1.936 -1.044 0.20 0.00 N ATOM 101 CZ ARG A 7 -27.451 2.772 -1.723 0.10 0.00 C ATOM 102 NH1 ARG A 7 -27.860 3.903 -1.165 0.51 0.00 N ATOM 103 NH2 ARG A 7 -27.821 2.477 -2.961 0.41 0.00 N ATOM 0 H ARG A 7 -22.560 1.719 1.770 1.00 0.00 H new ATOM 0 HA ARG A 7 -23.141 -0.647 0.358 0.35 0.00 H new ATOM 0 HB2 ARG A 7 -23.568 2.300 -0.277 0.05 0.00 H new ATOM 0 HB3 ARG A 7 -24.260 0.996 -1.221 0.05 0.00 H new ATOM 0 HG2 ARG A 7 -25.511 0.197 0.751 0.18 0.00 H new ATOM 0 HG3 ARG A 7 -24.779 1.443 1.743 0.18 0.00 H new ATOM 0 HD2 ARG A 7 -27.045 2.098 1.008 0.20 0.00 H new ATOM 0 HD3 ARG A 7 -25.831 3.204 0.395 0.20 0.00 H new ATOM 0 HE ARG A 7 -26.375 1.073 -1.502 0.20 0.00 H new ATOM 0 HH11 ARG A 7 -27.575 4.134 -0.213 0.51 0.00 H new ATOM 0 HH12 ARG A 7 -28.460 4.542 -1.687 0.51 0.00 H new ATOM 0 HH21 ARG A 7 -27.506 1.609 -3.394 0.41 0.00 H new ATOM 0 HH22 ARG A 7 -28.421 3.118 -3.480 0.41 0.00 H new ATOM 117 N ARG A 8 -20.767 1.214 -0.894 0.26 0.00 N ATOM 118 CA ARG A 8 -19.722 1.271 -1.910 0.10 0.00 C ATOM 119 C ARG A 8 -18.675 0.185 -1.683 0.27 0.00 C ATOM 120 O ARG A 8 -18.114 -0.357 -2.636 1.00 0.00 O ATOM 121 CB ARG A 8 -19.056 2.647 -1.908 0.53 0.00 C ATOM 122 CG ARG A 8 -20.021 3.797 -2.159 0.21 0.00 C ATOM 123 CD ARG A 8 -20.587 3.757 -3.570 0.31 0.00 C ATOM 124 NE ARG A 8 -21.477 4.886 -3.831 0.61 0.00 N ATOM 125 CZ ARG A 8 -21.871 5.250 -5.048 0.07 0.00 C ATOM 126 NH1 ARG A 8 -21.462 4.574 -6.112 1.00 0.00 N ATOM 127 NH2 ARG A 8 -22.676 6.292 -5.199 0.24 0.00 N ATOM 0 H ARG A 8 -20.685 1.923 -0.165 0.26 0.00 H new ATOM 0 HA ARG A 8 -20.187 1.100 -2.881 0.10 0.00 H new ATOM 0 HB2 ARG A 8 -18.564 2.801 -0.948 0.53 0.00 H new ATOM 0 HB3 ARG A 8 -18.278 2.665 -2.671 0.53 0.00 H new ATOM 0 HG2 ARG A 8 -20.837 3.752 -1.438 0.21 0.00 H new ATOM 0 HG3 ARG A 8 -19.507 4.745 -2.000 0.21 0.00 H new ATOM 0 HD2 ARG A 8 -19.769 3.766 -4.290 0.31 0.00 H new ATOM 0 HD3 ARG A 8 -21.131 2.824 -3.717 0.31 0.00 H new ATOM 0 HE ARG A 8 -21.815 5.426 -3.034 0.61 0.00 H new ATOM 0 HH11 ARG A 8 -20.843 3.771 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.766 4.856 -7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -22.993 6.814 -4.382 0.24 0.00 H new ATOM 0 HH22 ARG A 8 -22.979 6.572 -6.132 0.24 0.00 H new ATOM 141 N LEU A 9 -18.411 -0.128 -0.418 0.24 0.00 N ATOM 142 CA LEU A 9 -17.429 -1.149 -0.075 1.00 0.00 C ATOM 143 C LEU A 9 -17.931 -2.535 -0.465 0.08 0.00 C ATOM 144 O LEU A 9 -17.149 -3.403 -0.856 1.00 0.00 O ATOM 145 CB LEU A 9 -17.111 -1.107 1.421 0.17 0.00 C ATOM 146 CG LEU A 9 -16.371 0.147 1.892 0.24 0.00 C ATOM 147 CD1 LEU A 9 -16.214 0.136 3.406 0.13 0.00 C ATOM 148 CD2 LEU A 9 -15.011 0.250 1.216 0.66 0.00 C ATOM 0 H LEU A 9 -18.863 0.310 0.385 0.24 0.00 H new ATOM 0 HA LEU A 9 -16.516 -0.941 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.045 -1.190 1.978 0.17 0.00 H new ATOM 0 HB3 LEU A 9 -16.511 -1.981 1.674 0.17 0.00 H new ATOM 0 HG LEU A 9 -16.961 1.020 1.613 0.24 0.00 H new ATOM 0 HD11 LEU A 9 -15.686 1.035 3.724 0.13 0.00 H new ATOM 0 HD12 LEU A 9 -17.198 0.109 3.874 0.13 0.00 H new ATOM 0 HD13 LEU A 9 -15.646 -0.744 3.706 0.13 0.00 H new ATOM 0 HD21 LEU A 9 -14.499 1.148 1.563 0.66 0.00 H new ATOM 0 HD22 LEU A 9 -14.414 -0.627 1.465 0.66 0.00 H new ATOM 0 HD23 LEU A 9 -15.145 0.303 0.136 0.66 0.00 H new ATOM 160 N MET A 10 -19.241 -2.736 -0.357 1.00 0.00 N ATOM 161 CA MET A 10 -19.850 -4.014 -0.701 0.21 0.00 C ATOM 162 C MET A 10 -19.800 -4.250 -2.206 0.36 0.00 C ATOM 163 O MET A 10 -19.389 -5.317 -2.665 1.00 0.00 O ATOM 164 CB MET A 10 -21.298 -4.065 -0.213 1.00 0.00 C ATOM 165 CG MET A 10 -21.430 -4.126 1.299 0.10 0.00 C ATOM 166 SD MET A 10 -23.147 -4.142 1.847 0.11 0.00 S ATOM 167 CE MET A 10 -23.755 -5.613 1.023 0.88 0.00 C ATOM 0 H MET A 10 -19.901 -2.029 -0.033 1.00 0.00 H new ATOM 0 HA MET A 10 -19.282 -4.802 -0.207 0.21 0.00 H new ATOM 0 HB2 MET A 10 -21.827 -3.186 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 10 -21.788 -4.936 -0.647 1.00 0.00 H new ATOM 0 HG2 MET A 10 -20.927 -5.020 1.668 0.10 0.00 H new ATOM 0 HG3 MET A 10 -20.920 -3.269 1.739 0.10 0.00 H new ATOM 0 HE1 MET A 10 -24.487 -6.110 1.659 0.88 0.00 H new ATOM 0 HE2 MET A 10 -24.224 -5.334 0.079 0.88 0.00 H new ATOM 0 HE3 MET A 10 -22.924 -6.291 0.829 0.88 0.00 H new ATOM 177 N ARG A 11 -20.225 -3.248 -2.971 0.12 0.00 N ATOM 178 CA ARG A 11 -20.229 -3.346 -4.425 0.05 0.00 C ATOM 179 C ARG A 11 -18.805 -3.453 -4.959 1.00 0.00 C ATOM 180 O ARG A 11 -18.569 -4.039 -6.016 0.32 0.00 O ATOM 181 CB ARG A 11 -20.932 -2.135 -5.041 0.08 0.00 C ATOM 182 CG ARG A 11 -20.173 -0.831 -4.865 0.15 0.00 C ATOM 183 CD ARG A 11 -20.878 0.318 -5.565 0.24 0.00 C ATOM 184 NE ARG A 11 -22.235 0.514 -5.063 0.89 0.00 N ATOM 185 CZ ARG A 11 -23.185 1.159 -5.734 1.00 0.00 C ATOM 186 NH1 ARG A 11 -22.930 1.663 -6.935 0.11 0.00 N ATOM 187 NH2 ARG A 11 -24.394 1.299 -5.206 0.80 0.00 N ATOM 0 H ARG A 11 -20.571 -2.360 -2.607 0.12 0.00 H new ATOM 0 HA ARG A 11 -20.774 -4.247 -4.705 0.05 0.00 H new ATOM 0 HB2 ARG A 11 -21.082 -2.316 -6.105 0.08 0.00 H new ATOM 0 HB3 ARG A 11 -21.920 -2.033 -4.592 0.08 0.00 H new ATOM 0 HG2 ARG A 11 -20.074 -0.606 -3.803 0.15 0.00 H new ATOM 0 HG3 ARG A 11 -19.164 -0.938 -5.264 0.15 0.00 H new ATOM 0 HD2 ARG A 11 -20.304 1.234 -5.426 0.24 0.00 H new ATOM 0 HD3 ARG A 11 -20.913 0.123 -6.637 0.24 0.00 H new ATOM 0 HE ARG A 11 -22.468 0.135 -4.145 0.89 0.00 H new ATOM 0 HH11 ARG A 11 -22.003 1.556 -7.346 0.11 0.00 H new ATOM 0 HH12 ARG A 11 -23.661 2.157 -7.447 0.11 0.00 H new ATOM 0 HH21 ARG A 11 -24.596 0.912 -4.284 0.80 0.00 H new ATOM 0 HH22 ARG A 11 -25.122 1.794 -5.722 0.80 0.00 H new ATOM 201 N ASP A 12 -17.861 -2.880 -4.219 0.08 0.00 N ATOM 202 CA ASP A 12 -16.456 -2.906 -4.611 1.00 0.00 C ATOM 203 C ASP A 12 -15.942 -4.339 -4.701 0.07 0.00 C ATOM 204 O ASP A 12 -15.380 -4.745 -5.717 0.09 0.00 O ATOM 205 CB ASP A 12 -15.613 -2.112 -3.611 0.06 0.00 C ATOM 206 CG ASP A 12 -14.127 -2.283 -3.845 1.00 0.00 C ATOM 207 OD1 ASP A 12 -13.565 -3.286 -3.358 0.14 0.00 O ATOM 208 OD2 ASP A 12 -13.528 -1.418 -4.516 0.11 0.00 O ATOM 0 H ASP A 12 -18.044 -2.391 -3.343 0.08 0.00 H new ATOM 0 HA ASP A 12 -16.370 -2.446 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.870 -1.055 -3.682 0.06 0.00 H new ATOM 0 HB3 ASP A 12 -15.858 -2.432 -2.598 0.06 0.00 H new ATOM 213 N PHE A 13 -16.140 -5.100 -3.628 1.00 0.00 N ATOM 214 CA PHE A 13 -15.693 -6.489 -3.582 0.14 0.00 C ATOM 215 C PHE A 13 -16.447 -7.332 -4.604 1.00 0.00 C ATOM 216 O PHE A 13 -15.888 -8.248 -5.205 1.00 0.00 O ATOM 217 CB PHE A 13 -15.889 -7.065 -2.178 0.37 0.00 C ATOM 218 CG PHE A 13 -15.537 -8.523 -2.069 0.15 0.00 C ATOM 219 CD1 PHE A 13 -14.303 -8.987 -2.495 1.00 0.00 C ATOM 220 CD2 PHE A 13 -16.443 -9.429 -1.539 0.07 0.00 C ATOM 221 CE1 PHE A 13 -13.979 -10.325 -2.395 0.80 0.00 C ATOM 222 CE2 PHE A 13 -16.124 -10.770 -1.437 0.88 0.00 C ATOM 223 CZ PHE A 13 -14.890 -11.219 -1.866 0.27 0.00 C ATOM 0 H PHE A 13 -16.606 -4.779 -2.780 1.00 0.00 H new ATOM 0 HA PHE A 13 -14.632 -6.514 -3.828 0.14 0.00 H new ATOM 0 HB2 PHE A 13 -15.279 -6.499 -1.474 0.37 0.00 H new ATOM 0 HB3 PHE A 13 -16.929 -6.928 -1.880 0.37 0.00 H new ATOM 0 HD1 PHE A 13 -13.586 -8.294 -2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -17.409 -9.083 -1.202 0.07 0.00 H new ATOM 0 HE1 PHE A 13 -13.013 -10.673 -2.730 0.80 0.00 H new ATOM 0 HE2 PHE A 13 -16.838 -11.466 -1.023 0.88 0.00 H new ATOM 0 HZ PHE A 13 -14.638 -12.266 -1.788 0.27 0.00 H new ATOM 233 N LYS A 14 -17.722 -7.013 -4.790 1.00 0.00 N ATOM 234 CA LYS A 14 -18.563 -7.724 -5.730 0.12 0.00 C ATOM 235 C LYS A 14 -17.994 -7.645 -7.143 0.49 0.00 C ATOM 236 O LYS A 14 -17.935 -8.646 -7.857 0.28 0.00 O ATOM 237 CB LYS A 14 -19.964 -7.129 -5.691 1.00 0.00 C ATOM 238 CG LYS A 14 -20.954 -7.879 -6.546 1.00 0.00 C ATOM 239 CD LYS A 14 -22.354 -7.326 -6.369 1.00 0.00 C ATOM 240 CE LYS A 14 -23.283 -7.778 -7.481 1.00 0.00 C ATOM 241 NZ LYS A 14 -23.490 -9.254 -7.467 0.83 0.00 N ATOM 0 H LYS A 14 -18.195 -6.258 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 14 -18.601 -8.776 -5.447 0.12 0.00 H new ATOM 0 HB2 LYS A 14 -20.319 -7.119 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -19.920 -6.092 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -20.661 -7.809 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -20.941 -8.936 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.754 -7.649 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -22.315 -6.237 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -24.245 -7.276 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.869 -7.479 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.157 -9.518 -8.220 0.83 0.00 H new ATOM 0 HZ2 LYS A 14 -22.581 -9.734 -7.625 0.83 0.00 H new ATOM 0 HZ3 LYS A 14 -23.877 -9.542 -6.546 0.83 0.00 H new ATOM 255 N ARG A 15 -17.573 -6.448 -7.535 0.08 0.00 N ATOM 256 CA ARG A 15 -17.004 -6.229 -8.859 1.00 0.00 C ATOM 257 C ARG A 15 -15.550 -6.694 -8.913 0.19 0.00 C ATOM 258 O ARG A 15 -15.039 -7.042 -9.979 0.21 0.00 O ATOM 259 CB ARG A 15 -17.094 -4.747 -9.231 0.10 0.00 C ATOM 260 CG ARG A 15 -16.561 -4.430 -10.620 0.09 0.00 C ATOM 261 CD ARG A 15 -17.431 -5.042 -11.708 0.19 0.00 C ATOM 262 NE ARG A 15 -16.995 -4.643 -13.043 0.11 0.00 N ATOM 263 CZ ARG A 15 -17.403 -5.233 -14.163 0.24 0.00 C ATOM 264 NH1 ARG A 15 -18.260 -6.244 -14.112 0.15 0.00 N ATOM 265 NH2 ARG A 15 -16.956 -4.809 -15.337 1.00 0.00 N ATOM 0 H ARG A 15 -17.615 -5.612 -6.952 0.08 0.00 H new ATOM 0 HA ARG A 15 -17.577 -6.815 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.135 -4.429 -9.170 0.10 0.00 H new ATOM 0 HB3 ARG A 15 -16.539 -4.163 -8.497 0.10 0.00 H new ATOM 0 HG2 ARG A 15 -16.516 -3.349 -10.755 0.09 0.00 H new ATOM 0 HG3 ARG A 15 -15.542 -4.806 -10.714 0.09 0.00 H new ATOM 0 HD2 ARG A 15 -17.403 -6.129 -11.627 0.19 0.00 H new ATOM 0 HD3 ARG A 15 -18.467 -4.738 -11.558 0.19 0.00 H new ATOM 0 HE ARG A 15 -16.339 -3.866 -13.121 0.11 0.00 H new ATOM 0 HH11 ARG A 15 -18.609 -6.572 -13.211 0.15 0.00 H new ATOM 0 HH12 ARG A 15 -18.570 -6.694 -14.973 0.15 0.00 H new ATOM 0 HH21 ARG A 15 -16.299 -4.030 -15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.269 -5.262 -16.196 1.00 0.00 H new ATOM 279 N LEU A 16 -14.891 -6.696 -7.759 0.13 0.00 N ATOM 280 CA LEU A 16 -13.494 -7.112 -7.673 1.00 0.00 C ATOM 281 C LEU A 16 -13.342 -8.590 -8.016 0.49 0.00 C ATOM 282 O LEU A 16 -12.355 -8.993 -8.630 1.00 0.00 O ATOM 283 CB LEU A 16 -12.947 -6.834 -6.270 1.00 0.00 C ATOM 284 CG LEU A 16 -11.439 -7.041 -6.104 0.10 0.00 C ATOM 285 CD1 LEU A 16 -10.882 -6.070 -5.075 1.00 0.00 C ATOM 286 CD2 LEU A 16 -11.136 -8.477 -5.699 0.09 0.00 C ATOM 0 H LEU A 16 -15.302 -6.414 -6.869 0.13 0.00 H new ATOM 0 HA LEU A 16 -12.921 -6.535 -8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.188 -5.806 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.466 -7.479 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.957 -6.846 -7.062 0.10 0.00 H new ATOM 0 HD11 LEU A 16 -9.809 -6.229 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.066 -5.047 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.371 -6.237 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.059 -8.604 -5.586 0.09 0.00 H new ATOM 0 HD22 LEU A 16 -11.629 -8.700 -4.753 0.09 0.00 H new ATOM 0 HD23 LEU A 16 -11.503 -9.157 -6.468 0.09 0.00 H new ATOM 298 N GLN A 17 -14.323 -9.394 -7.617 0.33 0.00 N ATOM 299 CA GLN A 17 -14.292 -10.824 -7.879 0.06 0.00 C ATOM 300 C GLN A 17 -14.433 -11.115 -9.371 1.00 0.00 C ATOM 301 O GLN A 17 -13.818 -12.046 -9.890 0.08 0.00 O ATOM 302 CB GLN A 17 -15.405 -11.519 -7.102 0.18 0.00 C ATOM 303 CG GLN A 17 -15.237 -11.435 -5.594 0.24 0.00 C ATOM 304 CD GLN A 17 -16.244 -12.286 -4.844 1.00 0.00 C ATOM 305 OE1 GLN A 17 -17.331 -11.824 -4.499 1.00 0.00 O ATOM 306 NE2 GLN A 17 -15.881 -13.537 -4.586 0.67 0.00 N ATOM 0 H GLN A 17 -15.149 -9.076 -7.110 0.33 0.00 H new ATOM 0 HA GLN A 17 -13.327 -11.210 -7.550 0.06 0.00 H new ATOM 0 HB2 GLN A 17 -16.362 -11.075 -7.378 0.18 0.00 H new ATOM 0 HB3 GLN A 17 -15.443 -12.568 -7.397 0.18 0.00 H new ATOM 0 HG2 GLN A 17 -14.229 -11.752 -5.327 0.24 0.00 H new ATOM 0 HG3 GLN A 17 -15.339 -10.397 -5.279 0.24 0.00 H new ATOM 0 HE21 GLN A 17 -14.969 -13.877 -4.892 0.67 0.00 H new ATOM 0 HE22 GLN A 17 -16.514 -14.158 -4.082 0.67 0.00 H new ATOM 315 N GLU A 18 -15.247 -10.315 -10.052 0.61 0.00 N ATOM 316 CA GLU A 18 -15.467 -10.489 -11.484 0.69 0.00 C ATOM 317 C GLU A 18 -14.151 -10.393 -12.251 0.18 0.00 C ATOM 318 O GLU A 18 -13.936 -11.107 -13.230 0.09 0.00 O ATOM 319 CB GLU A 18 -16.451 -9.439 -12.001 1.00 0.00 C ATOM 320 CG GLU A 18 -17.795 -9.459 -11.289 1.00 0.00 C ATOM 321 CD GLU A 18 -18.522 -10.780 -11.448 0.16 0.00 C ATOM 322 OE1 GLU A 18 -18.260 -11.702 -10.646 1.00 0.00 O ATOM 323 OE2 GLU A 18 -19.351 -10.892 -12.373 1.00 0.00 O ATOM 0 H GLU A 18 -15.765 -9.541 -9.636 0.61 0.00 H new ATOM 0 HA GLU A 18 -15.889 -11.481 -11.645 0.69 0.00 H new ATOM 0 HB2 GLU A 18 -16.006 -8.450 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.612 -9.598 -13.067 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.643 -9.258 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.420 -8.656 -11.679 1.00 0.00 H new ATOM 330 N ASP A 19 -13.273 -9.504 -11.796 0.11 0.00 N ATOM 331 CA ASP A 19 -11.975 -9.308 -12.429 0.09 0.00 C ATOM 332 C ASP A 19 -11.034 -8.539 -11.505 1.00 0.00 C ATOM 333 O ASP A 19 -10.935 -7.315 -11.591 0.49 0.00 O ATOM 334 CB ASP A 19 -12.137 -8.558 -13.754 1.00 0.00 C ATOM 335 CG ASP A 19 -10.817 -8.362 -14.475 0.35 0.00 C ATOM 336 OD1 ASP A 19 -10.436 -9.246 -15.269 0.63 0.00 O ATOM 337 OD2 ASP A 19 -10.165 -7.321 -14.244 0.13 0.00 O ATOM 0 H ASP A 19 -13.439 -8.906 -10.987 0.11 0.00 H new ATOM 0 HA ASP A 19 -11.541 -10.288 -12.628 0.09 0.00 H new ATOM 0 HB2 ASP A 19 -12.821 -9.110 -14.399 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.592 -7.586 -13.564 1.00 0.00 H new ATOM 342 N PRO A 20 -10.340 -9.246 -10.593 0.11 0.00 N ATOM 343 CA PRO A 20 -9.412 -8.614 -9.653 0.90 0.00 C ATOM 344 C PRO A 20 -8.138 -8.128 -10.339 0.07 0.00 C ATOM 345 O PRO A 20 -7.740 -8.665 -11.374 0.16 0.00 O ATOM 346 CB PRO A 20 -9.094 -9.735 -8.662 1.00 0.00 C ATOM 347 CG PRO A 20 -9.289 -10.990 -9.438 0.42 0.00 C ATOM 348 CD PRO A 20 -10.409 -10.709 -10.402 1.00 0.00 C ATOM 0 HA PRO A 20 -9.841 -7.726 -9.188 0.90 0.00 H new ATOM 0 HB2 PRO A 20 -8.073 -9.655 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.755 -9.698 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.378 -11.267 -9.968 0.42 0.00 H new ATOM 0 HG3 PRO A 20 -9.540 -11.821 -8.779 0.42 0.00 H new ATOM 0 HD2 PRO A 20 -10.273 -11.243 -11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.373 -11.016 -9.997 1.00 0.00 H new ATOM 356 N PRO A 21 -7.476 -7.103 -9.770 0.21 0.00 N ATOM 357 CA PRO A 21 -6.240 -6.551 -10.332 1.00 0.00 C ATOM 358 C PRO A 21 -5.150 -7.609 -10.474 0.08 0.00 C ATOM 359 O PRO A 21 -5.066 -8.537 -9.670 0.06 0.00 O ATOM 360 CB PRO A 21 -5.819 -5.478 -9.316 0.42 0.00 C ATOM 361 CG PRO A 21 -6.590 -5.786 -8.076 0.28 0.00 C ATOM 362 CD PRO A 21 -7.877 -6.404 -8.537 0.07 0.00 C ATOM 0 HA PRO A 21 -6.393 -6.158 -11.337 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.745 -5.512 -9.130 0.42 0.00 H new ATOM 0 HB3 PRO A 21 -6.048 -4.477 -9.683 0.42 0.00 H new ATOM 0 HG2 PRO A 21 -6.037 -6.469 -7.432 0.28 0.00 H new ATOM 0 HG3 PRO A 21 -6.776 -4.882 -7.497 0.28 0.00 H new ATOM 0 HD2 PRO A 21 -8.285 -7.092 -7.796 0.07 0.00 H new ATOM 0 HD3 PRO A 21 -8.642 -5.652 -8.728 0.07 0.00 H new ATOM 370 N VAL A 22 -4.320 -7.465 -11.503 0.49 0.00 N ATOM 371 CA VAL A 22 -3.238 -8.413 -11.748 0.31 0.00 C ATOM 372 C VAL A 22 -1.948 -7.961 -11.069 0.72 0.00 C ATOM 373 O VAL A 22 -1.622 -6.774 -11.057 0.48 0.00 O ATOM 374 CB VAL A 22 -2.975 -8.592 -13.258 1.00 0.00 C ATOM 375 CG1 VAL A 22 -1.898 -9.639 -13.497 0.33 0.00 C ATOM 376 CG2 VAL A 22 -4.260 -8.966 -13.983 1.00 0.00 C ATOM 0 H VAL A 22 -4.376 -6.703 -12.179 0.49 0.00 H new ATOM 0 HA VAL A 22 -3.553 -9.368 -11.327 0.31 0.00 H new ATOM 0 HB VAL A 22 -2.619 -7.643 -13.658 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.729 -9.749 -14.568 0.33 0.00 H new ATOM 0 HG12 VAL A 22 -0.973 -9.326 -13.014 0.33 0.00 H new ATOM 0 HG13 VAL A 22 -2.220 -10.594 -13.081 0.33 0.00 H new ATOM 0 HG21 VAL A 22 -4.055 -9.088 -15.047 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.647 -9.901 -13.578 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.999 -8.177 -13.844 1.00 0.00 H new ATOM 386 N GLY A 23 -1.218 -8.918 -10.502 0.30 0.00 N ATOM 387 CA GLY A 23 0.028 -8.603 -9.825 0.12 0.00 C ATOM 388 C GLY A 23 -0.194 -8.090 -8.418 0.26 0.00 C ATOM 389 O GLY A 23 0.761 -7.829 -7.686 0.09 0.00 O ATOM 0 H GLY A 23 -1.468 -9.907 -10.499 0.30 0.00 H new ATOM 0 HA2 GLY A 23 0.654 -9.494 -9.789 0.12 0.00 H new ATOM 0 HA3 GLY A 23 0.572 -7.854 -10.400 0.12 0.00 H new ATOM 393 N VAL A 24 -1.459 -7.948 -8.038 0.15 0.00 N ATOM 394 CA VAL A 24 -1.813 -7.463 -6.709 1.00 0.00 C ATOM 395 C VAL A 24 -3.250 -7.836 -6.361 0.09 0.00 C ATOM 396 O VAL A 24 -4.132 -7.806 -7.219 0.99 0.00 O ATOM 397 CB VAL A 24 -1.642 -5.934 -6.608 0.16 0.00 C ATOM 398 CG1 VAL A 24 -2.518 -5.225 -7.629 0.09 0.00 C ATOM 399 CG2 VAL A 24 -1.954 -5.453 -5.201 0.16 0.00 C ATOM 0 H VAL A 24 -2.259 -8.163 -8.634 0.15 0.00 H new ATOM 0 HA VAL A 24 -1.136 -7.939 -5.999 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.603 -5.691 -6.828 0.16 0.00 H new ATOM 0 HG11 VAL A 24 -2.381 -4.147 -7.540 0.09 0.00 H new ATOM 0 HG12 VAL A 24 -2.238 -5.544 -8.633 0.09 0.00 H new ATOM 0 HG13 VAL A 24 -3.563 -5.474 -7.447 0.09 0.00 H new ATOM 0 HG21 VAL A 24 -1.828 -4.372 -5.150 0.16 0.00 H new ATOM 0 HG22 VAL A 24 -2.983 -5.711 -4.948 0.16 0.00 H new ATOM 0 HG23 VAL A 24 -1.276 -5.931 -4.494 0.16 0.00 H new ATOM 409 N SER A 25 -3.479 -8.192 -5.100 1.00 0.00 N ATOM 410 CA SER A 25 -4.812 -8.574 -4.649 1.00 0.00 C ATOM 411 C SER A 25 -5.210 -7.805 -3.393 0.05 0.00 C ATOM 412 O SER A 25 -4.365 -7.464 -2.566 0.14 0.00 O ATOM 413 CB SER A 25 -4.867 -10.080 -4.378 0.25 0.00 C ATOM 414 OG SER A 25 -4.565 -10.820 -5.548 1.00 0.00 O ATOM 0 H SER A 25 -2.762 -8.224 -4.376 1.00 0.00 H new ATOM 0 HA SER A 25 -5.519 -8.325 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.160 -10.337 -3.589 0.25 0.00 H new ATOM 0 HB3 SER A 25 -5.859 -10.352 -4.018 0.25 0.00 H new ATOM 0 HG SER A 25 -4.605 -11.779 -5.348 1.00 0.00 H new ATOM 420 N GLY A 26 -6.506 -7.531 -3.262 1.00 0.00 N ATOM 421 CA GLY A 26 -7.005 -6.813 -2.105 0.15 0.00 C ATOM 422 C GLY A 26 -8.469 -7.102 -1.835 0.34 0.00 C ATOM 423 O GLY A 26 -9.350 -6.451 -2.397 0.10 0.00 O ATOM 0 H GLY A 26 -7.220 -7.795 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.416 -7.085 -1.229 0.15 0.00 H new ATOM 0 HA3 GLY A 26 -6.871 -5.742 -2.259 0.15 0.00 H new ATOM 427 N ALA A 27 -8.728 -8.080 -0.972 1.00 0.00 N ATOM 428 CA ALA A 27 -10.097 -8.458 -0.639 0.25 0.00 C ATOM 429 C ALA A 27 -10.211 -8.899 0.821 0.05 0.00 C ATOM 430 O ALA A 27 -9.233 -9.354 1.416 0.27 0.00 O ATOM 431 CB ALA A 27 -10.572 -9.568 -1.565 0.86 0.00 C ATOM 0 H ALA A 27 -8.010 -8.623 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.733 -7.583 -0.775 0.25 0.00 H new ATOM 0 HB1 ALA A 27 -11.595 -9.843 -1.308 0.86 0.00 H new ATOM 0 HB2 ALA A 27 -10.538 -9.220 -2.597 0.86 0.00 H new ATOM 0 HB3 ALA A 27 -9.924 -10.437 -1.454 0.86 0.00 H new ATOM 437 N PRO A 28 -11.413 -8.772 1.417 0.09 0.00 N ATOM 438 CA PRO A 28 -11.648 -9.162 2.811 0.16 0.00 C ATOM 439 C PRO A 28 -11.741 -10.673 2.979 0.05 0.00 C ATOM 440 O PRO A 28 -12.555 -11.331 2.327 0.06 0.00 O ATOM 441 CB PRO A 28 -12.989 -8.506 3.135 0.90 0.00 C ATOM 442 CG PRO A 28 -13.700 -8.450 1.828 0.31 0.00 C ATOM 443 CD PRO A 28 -12.637 -8.238 0.783 0.25 0.00 C ATOM 0 HA PRO A 28 -10.835 -8.852 3.467 0.16 0.00 H new ATOM 0 HB2 PRO A 28 -13.549 -9.088 3.867 0.90 0.00 H new ATOM 0 HB3 PRO A 28 -12.853 -7.510 3.556 0.90 0.00 H new ATOM 0 HG2 PRO A 28 -14.249 -9.373 1.643 0.31 0.00 H new ATOM 0 HG3 PRO A 28 -14.427 -7.638 1.814 0.31 0.00 H new ATOM 0 HD2 PRO A 28 -12.873 -8.766 -0.141 0.25 0.00 H new ATOM 0 HD3 PRO A 28 -12.529 -7.183 0.529 0.25 0.00 H new ATOM 451 N SER A 29 -10.905 -11.222 3.855 0.99 0.00 N ATOM 452 CA SER A 29 -10.901 -12.659 4.106 0.70 0.00 C ATOM 453 C SER A 29 -11.897 -13.022 5.203 0.90 0.00 C ATOM 454 O SER A 29 -13.015 -13.454 4.920 0.85 0.00 O ATOM 455 CB SER A 29 -9.497 -13.130 4.492 0.05 0.00 C ATOM 456 OG SER A 29 -9.472 -14.527 4.724 0.13 0.00 O ATOM 0 H SER A 29 -10.224 -10.695 4.401 0.99 0.00 H new ATOM 0 HA SER A 29 -11.202 -13.164 3.188 0.70 0.00 H new ATOM 0 HB2 SER A 29 -8.795 -12.878 3.698 0.05 0.00 H new ATOM 0 HB3 SER A 29 -9.167 -12.604 5.388 0.05 0.00 H new ATOM 0 HG SER A 29 -8.563 -14.802 4.967 0.13 0.00 H new ATOM 462 N GLU A 30 -11.485 -12.844 6.455 0.08 0.00 N ATOM 463 CA GLU A 30 -12.343 -13.150 7.595 0.11 0.00 C ATOM 464 C GLU A 30 -12.621 -11.894 8.415 0.81 0.00 C ATOM 465 O GLU A 30 -13.681 -11.761 9.027 0.21 0.00 O ATOM 466 CB GLU A 30 -11.698 -14.221 8.478 1.00 0.00 C ATOM 467 CG GLU A 30 -12.562 -14.643 9.656 0.44 0.00 C ATOM 468 CD GLU A 30 -11.976 -15.812 10.421 1.00 0.00 C ATOM 469 OE1 GLU A 30 -11.154 -15.574 11.332 0.28 0.00 O ATOM 470 OE2 GLU A 30 -12.338 -16.967 10.110 0.23 0.00 O ATOM 0 H GLU A 30 -10.562 -12.489 6.706 0.08 0.00 H new ATOM 0 HA GLU A 30 -13.290 -13.532 7.214 0.11 0.00 H new ATOM 0 HB2 GLU A 30 -11.477 -15.097 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.746 -13.845 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.686 -13.797 10.332 0.44 0.00 H new ATOM 0 HG3 GLU A 30 -13.555 -14.911 9.295 0.44 0.00 H new ATOM 477 N ASN A 31 -11.660 -10.974 8.418 0.06 0.00 N ATOM 478 CA ASN A 31 -11.798 -9.724 9.155 0.64 0.00 C ATOM 479 C ASN A 31 -13.037 -8.963 8.698 0.43 0.00 C ATOM 480 O ASN A 31 -13.410 -9.017 7.525 0.36 0.00 O ATOM 481 CB ASN A 31 -10.555 -8.854 8.964 0.08 0.00 C ATOM 482 CG ASN A 31 -9.275 -9.577 9.343 0.35 0.00 C ATOM 483 OD1 ASN A 31 -9.274 -10.440 10.221 0.49 0.00 O ATOM 484 ND2 ASN A 31 -8.179 -9.225 8.680 1.00 0.00 N ATOM 0 H ASN A 31 -10.777 -11.072 7.917 0.06 0.00 H new ATOM 0 HA ASN A 31 -11.906 -9.964 10.213 0.64 0.00 H new ATOM 0 HB2 ASN A 31 -10.494 -8.536 7.923 0.08 0.00 H new ATOM 0 HB3 ASN A 31 -10.651 -7.951 9.568 0.08 0.00 H new ATOM 0 HD21 ASN A 31 -7.289 -9.676 8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.228 -8.504 7.960 1.00 0.00 H new ATOM 491 N ASN A 32 -13.672 -8.258 9.631 0.38 0.00 N ATOM 492 CA ASN A 32 -14.870 -7.482 9.326 0.22 0.00 C ATOM 493 C ASN A 32 -14.641 -6.568 8.125 0.10 0.00 C ATOM 494 O ASN A 32 -13.504 -6.336 7.717 1.00 0.00 O ATOM 495 CB ASN A 32 -15.287 -6.653 10.542 0.10 0.00 C ATOM 496 CG ASN A 32 -15.618 -7.513 11.746 0.73 0.00 C ATOM 497 OD1 ASN A 32 -16.072 -8.650 11.606 0.80 0.00 O ATOM 498 ND2 ASN A 32 -15.389 -6.975 12.937 1.00 0.00 N ATOM 0 H ASN A 32 -13.376 -8.208 10.606 0.38 0.00 H new ATOM 0 HA ASN A 32 -15.670 -8.180 9.077 0.22 0.00 H new ATOM 0 HB2 ASN A 32 -14.483 -5.965 10.801 0.10 0.00 H new ATOM 0 HB3 ASN A 32 -16.155 -6.046 10.284 0.10 0.00 H new ATOM 0 HD21 ASN A 32 -15.590 -7.507 13.784 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.012 -6.030 13.006 1.00 0.00 H new ATOM 505 N ILE A 33 -15.732 -6.051 7.566 0.45 0.00 N ATOM 506 CA ILE A 33 -15.659 -5.164 6.406 0.06 0.00 C ATOM 507 C ILE A 33 -14.711 -3.992 6.656 0.40 0.00 C ATOM 508 O ILE A 33 -14.107 -3.460 5.726 0.28 0.00 O ATOM 509 CB ILE A 33 -17.052 -4.612 6.046 0.33 0.00 C ATOM 510 CG1 ILE A 33 -16.982 -3.790 4.756 0.12 0.00 C ATOM 511 CG2 ILE A 33 -17.598 -3.771 7.193 1.00 0.00 C ATOM 512 CD1 ILE A 33 -18.339 -3.382 4.221 0.09 0.00 C ATOM 0 H ILE A 33 -16.680 -6.231 7.898 0.45 0.00 H new ATOM 0 HA ILE A 33 -15.277 -5.759 5.576 0.06 0.00 H new ATOM 0 HB ILE A 33 -17.730 -5.450 5.881 0.33 0.00 H new ATOM 0 HG12 ILE A 33 -16.388 -2.894 4.938 0.12 0.00 H new ATOM 0 HG13 ILE A 33 -16.460 -4.369 3.994 0.12 0.00 H new ATOM 0 HG21 ILE A 33 -18.583 -3.387 6.926 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -17.679 -4.387 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -16.923 -2.937 7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -18.210 -2.803 3.306 0.09 0.00 H new ATOM 0 HD12 ILE A 33 -18.928 -4.273 4.006 0.09 0.00 H new ATOM 0 HD13 ILE A 33 -18.856 -2.776 4.965 0.09 0.00 H new ATOM 524 N MET A 34 -14.588 -3.600 7.919 1.00 0.00 N ATOM 525 CA MET A 34 -13.719 -2.490 8.298 0.13 0.00 C ATOM 526 C MET A 34 -12.253 -2.802 8.009 0.32 0.00 C ATOM 527 O MET A 34 -11.481 -1.910 7.661 0.12 0.00 O ATOM 528 CB MET A 34 -13.904 -2.162 9.780 1.00 0.00 C ATOM 529 CG MET A 34 -13.990 -3.392 10.667 1.00 0.00 C ATOM 530 SD MET A 34 -14.053 -2.984 12.422 0.07 0.00 S ATOM 531 CE MET A 34 -15.602 -2.088 12.507 0.36 0.00 C ATOM 0 H MET A 34 -15.080 -4.035 8.700 1.00 0.00 H new ATOM 0 HA MET A 34 -14.001 -1.625 7.698 0.13 0.00 H new ATOM 0 HB2 MET A 34 -13.072 -1.541 10.113 1.00 0.00 H new ATOM 0 HB3 MET A 34 -14.812 -1.571 9.903 1.00 0.00 H new ATOM 0 HG2 MET A 34 -14.877 -3.966 10.400 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.128 -4.032 10.478 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.915 -2.001 13.547 0.36 0.00 H new ATOM 0 HE2 MET A 34 -15.470 -1.093 12.083 0.36 0.00 H new ATOM 0 HE3 MET A 34 -16.364 -2.625 11.943 0.36 0.00 H new ATOM 541 N GLN A 35 -11.873 -4.067 8.156 0.85 0.00 N ATOM 542 CA GLN A 35 -10.495 -4.481 7.911 0.18 0.00 C ATOM 543 C GLN A 35 -10.405 -5.452 6.735 1.00 0.00 C ATOM 544 O GLN A 35 -11.069 -6.488 6.720 0.28 0.00 O ATOM 545 CB GLN A 35 -9.899 -5.124 9.166 0.42 0.00 C ATOM 546 CG GLN A 35 -8.488 -5.652 8.968 0.82 0.00 C ATOM 547 CD GLN A 35 -7.824 -6.054 10.270 0.10 0.00 C ATOM 548 OE1 GLN A 35 -7.938 -7.197 10.712 0.59 0.00 O ATOM 549 NE2 GLN A 35 -7.124 -5.112 10.893 0.15 0.00 N ATOM 0 H GLN A 35 -12.497 -4.821 8.443 0.85 0.00 H new ATOM 0 HA GLN A 35 -9.922 -3.589 7.659 0.18 0.00 H new ATOM 0 HB2 GLN A 35 -9.894 -4.390 9.972 0.42 0.00 H new ATOM 0 HB3 GLN A 35 -10.543 -5.943 9.485 0.42 0.00 H new ATOM 0 HG2 GLN A 35 -8.517 -6.512 8.299 0.82 0.00 H new ATOM 0 HG3 GLN A 35 -7.884 -4.888 8.478 0.82 0.00 H new ATOM 0 HE21 GLN A 35 -7.056 -4.177 10.491 0.15 0.00 H new ATOM 0 HE22 GLN A 35 -6.655 -5.324 11.774 0.15 0.00 H new ATOM 558 N TRP A 36 -9.575 -5.106 5.756 0.14 0.00 N ATOM 559 CA TRP A 36 -9.389 -5.939 4.572 0.22 0.00 C ATOM 560 C TRP A 36 -7.971 -6.502 4.522 1.00 0.00 C ATOM 561 O TRP A 36 -7.051 -5.950 5.126 0.12 0.00 O ATOM 562 CB TRP A 36 -9.668 -5.131 3.301 1.00 0.00 C ATOM 563 CG TRP A 36 -11.128 -4.974 2.990 0.54 0.00 C ATOM 564 CD1 TRP A 36 -12.165 -4.940 3.878 0.11 0.00 C ATOM 565 CD2 TRP A 36 -11.712 -4.826 1.689 0.38 0.00 C ATOM 566 NE1 TRP A 36 -13.355 -4.785 3.210 0.66 0.00 N ATOM 567 CE2 TRP A 36 -13.104 -4.711 1.865 0.16 0.00 C ATOM 568 CE3 TRP A 36 -11.190 -4.781 0.392 1.00 0.00 C ATOM 569 CZ2 TRP A 36 -13.979 -4.554 0.795 0.84 0.00 C ATOM 570 CZ3 TRP A 36 -12.062 -4.624 -0.669 0.09 0.00 C ATOM 571 CH2 TRP A 36 -13.442 -4.512 -0.462 0.36 0.00 C ATOM 0 H TRP A 36 -9.018 -4.251 5.759 0.14 0.00 H new ATOM 0 HA TRP A 36 -10.093 -6.769 4.630 0.22 0.00 H new ATOM 0 HB2 TRP A 36 -9.220 -4.143 3.405 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.177 -5.617 2.458 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -12.064 -5.023 4.950 0.11 0.00 H new ATOM 0 HE1 TRP A 36 -14.276 -4.733 3.645 0.66 0.00 H new ATOM 0 HE3 TRP A 36 -10.127 -4.867 0.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -15.044 -4.468 0.951 0.84 0.00 H new ATOM 0 HZ3 TRP A 36 -11.672 -4.587 -1.675 0.09 0.00 H new ATOM 0 HH2 TRP A 36 -14.096 -4.390 -1.313 0.36 0.00 H new ATOM 582 N ASN A 37 -7.803 -7.604 3.796 1.00 0.00 N ATOM 583 CA ASN A 37 -6.496 -8.240 3.661 1.00 0.00 C ATOM 584 C ASN A 37 -6.002 -8.150 2.221 0.13 0.00 C ATOM 585 O ASN A 37 -6.562 -8.779 1.324 0.16 0.00 O ATOM 586 CB ASN A 37 -6.570 -9.705 4.100 0.56 0.00 C ATOM 587 CG ASN A 37 -5.217 -10.393 4.068 0.14 0.00 C ATOM 588 OD1 ASN A 37 -5.125 -11.594 3.814 0.16 0.00 O ATOM 589 ND2 ASN A 37 -4.158 -9.633 4.330 1.00 0.00 N ATOM 0 H ASN A 37 -8.555 -8.075 3.293 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.791 -7.714 4.304 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.976 -9.758 5.110 0.56 0.00 H new ATOM 0 HB3 ASN A 37 -7.261 -10.241 3.450 0.56 0.00 H new ATOM 0 HD21 ASN A 37 -3.223 -10.042 4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.280 -8.641 4.535 1.00 0.00 H new ATOM 596 N ALA A 38 -4.953 -7.362 2.008 0.62 0.00 N ATOM 597 CA ALA A 38 -4.393 -7.184 0.675 1.00 0.00 C ATOM 598 C ALA A 38 -2.897 -7.470 0.656 0.15 0.00 C ATOM 599 O ALA A 38 -2.200 -7.257 1.649 0.09 0.00 O ATOM 600 CB ALA A 38 -4.667 -5.775 0.178 0.21 0.00 C ATOM 0 H ALA A 38 -4.475 -6.838 2.741 0.62 0.00 H new ATOM 0 HA ALA A 38 -4.876 -7.899 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.244 -5.652 -0.819 0.21 0.00 H new ATOM 0 HB2 ALA A 38 -5.743 -5.606 0.139 0.21 0.00 H new ATOM 0 HB3 ALA A 38 -4.210 -5.055 0.857 0.21 0.00 H new ATOM 606 N VAL A 39 -2.412 -7.953 -0.481 0.83 0.00 N ATOM 607 CA VAL A 39 -0.998 -8.269 -0.644 0.32 0.00 C ATOM 608 C VAL A 39 -0.461 -7.680 -1.944 0.11 0.00 C ATOM 609 O VAL A 39 -0.999 -7.939 -3.022 1.00 0.00 O ATOM 610 CB VAL A 39 -0.761 -9.791 -0.641 0.83 0.00 C ATOM 611 CG1 VAL A 39 0.726 -10.106 -0.724 0.61 0.00 C ATOM 612 CG2 VAL A 39 -1.381 -10.428 0.593 1.00 0.00 C ATOM 0 H VAL A 39 -2.980 -8.135 -1.308 0.83 0.00 H new ATOM 0 HA VAL A 39 -0.468 -7.829 0.201 0.32 0.00 H new ATOM 0 HB VAL A 39 -1.245 -10.214 -1.521 0.83 0.00 H new ATOM 0 HG11 VAL A 39 0.870 -11.186 -0.720 0.61 0.00 H new ATOM 0 HG12 VAL A 39 1.136 -9.688 -1.644 0.61 0.00 H new ATOM 0 HG13 VAL A 39 1.239 -9.669 0.133 0.61 0.00 H new ATOM 0 HG21 VAL A 39 -1.203 -11.503 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.931 -10.000 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.454 -10.239 0.600 1.00 0.00 H new ATOM 622 N ILE A 40 0.601 -6.891 -1.837 0.82 0.00 N ATOM 623 CA ILE A 40 1.207 -6.265 -3.004 0.29 0.00 C ATOM 624 C ILE A 40 2.528 -6.934 -3.363 1.00 0.00 C ATOM 625 O ILE A 40 3.350 -7.218 -2.492 0.11 0.00 O ATOM 626 CB ILE A 40 1.448 -4.759 -2.772 0.47 0.00 C ATOM 627 CG1 ILE A 40 0.118 -4.039 -2.540 0.10 0.00 C ATOM 628 CG2 ILE A 40 2.191 -4.149 -3.955 0.13 0.00 C ATOM 629 CD1 ILE A 40 0.272 -2.576 -2.183 0.15 0.00 C ATOM 0 H ILE A 40 1.060 -6.670 -0.953 0.82 0.00 H new ATOM 0 HA ILE A 40 0.507 -6.389 -3.830 0.29 0.00 H new ATOM 0 HB ILE A 40 2.066 -4.638 -1.882 0.47 0.00 H new ATOM 0 HG12 ILE A 40 -0.492 -4.122 -3.440 0.10 0.00 H new ATOM 0 HG13 ILE A 40 -0.424 -4.544 -1.740 0.10 0.00 H new ATOM 0 HG21 ILE A 40 2.353 -3.086 -3.774 0.13 0.00 H new ATOM 0 HG22 ILE A 40 3.153 -4.647 -4.076 0.13 0.00 H new ATOM 0 HG23 ILE A 40 1.599 -4.277 -4.861 0.13 0.00 H new ATOM 0 HD11 ILE A 40 -0.712 -2.132 -2.033 0.15 0.00 H new ATOM 0 HD12 ILE A 40 0.854 -2.485 -1.266 0.15 0.00 H new ATOM 0 HD13 ILE A 40 0.785 -2.056 -2.992 0.15 0.00 H new ATOM 641 N PHE A 41 2.721 -7.184 -4.654 0.06 0.00 N ATOM 642 CA PHE A 41 3.942 -7.816 -5.134 0.45 0.00 C ATOM 643 C PHE A 41 4.774 -6.827 -5.945 0.09 0.00 C ATOM 644 O PHE A 41 4.268 -6.188 -6.868 1.00 0.00 O ATOM 645 CB PHE A 41 3.605 -9.043 -5.985 0.05 0.00 C ATOM 646 CG PHE A 41 2.743 -10.048 -5.274 1.00 0.00 C ATOM 647 CD1 PHE A 41 3.185 -10.664 -4.113 0.15 0.00 C ATOM 648 CD2 PHE A 41 1.490 -10.379 -5.766 0.24 0.00 C ATOM 649 CE1 PHE A 41 2.394 -11.589 -3.457 0.54 0.00 C ATOM 650 CE2 PHE A 41 0.696 -11.302 -5.114 0.06 0.00 C ATOM 651 CZ PHE A 41 1.147 -11.908 -3.959 0.17 0.00 C ATOM 0 H PHE A 41 2.047 -6.958 -5.385 0.06 0.00 H new ATOM 0 HA PHE A 41 4.526 -8.136 -4.271 0.45 0.00 H new ATOM 0 HB2 PHE A 41 3.096 -8.717 -6.892 0.05 0.00 H new ATOM 0 HB3 PHE A 41 4.532 -9.526 -6.295 0.05 0.00 H new ATOM 0 HD1 PHE A 41 4.159 -10.418 -3.716 0.15 0.00 H new ATOM 0 HD2 PHE A 41 1.130 -9.910 -6.670 0.24 0.00 H new ATOM 0 HE1 PHE A 41 2.750 -12.061 -2.554 0.54 0.00 H new ATOM 0 HE2 PHE A 41 -0.278 -11.550 -5.508 0.06 0.00 H new ATOM 0 HZ PHE A 41 0.527 -12.630 -3.449 0.17 0.00 H new ATOM 661 N GLY A 42 6.048 -6.706 -5.589 0.12 0.00 N ATOM 662 CA GLY A 42 6.932 -5.788 -6.283 0.38 0.00 C ATOM 663 C GLY A 42 6.946 -6.009 -7.786 0.46 0.00 C ATOM 664 O GLY A 42 6.824 -7.146 -8.244 1.00 0.00 O ATOM 0 H GLY A 42 6.485 -7.229 -4.830 0.12 0.00 H new ATOM 0 HA2 GLY A 42 6.622 -4.764 -6.074 0.38 0.00 H new ATOM 0 HA3 GLY A 42 7.944 -5.901 -5.894 0.38 0.00 H new ATOM 668 N PRO A 43 7.095 -4.935 -8.584 0.26 0.00 N ATOM 669 CA PRO A 43 7.127 -5.042 -10.046 1.00 0.00 C ATOM 670 C PRO A 43 8.417 -5.681 -10.544 0.46 0.00 C ATOM 671 O PRO A 43 9.389 -5.798 -9.799 0.24 0.00 O ATOM 672 CB PRO A 43 7.038 -3.589 -10.512 1.00 0.00 C ATOM 673 CG PRO A 43 7.614 -2.799 -9.389 1.00 0.00 C ATOM 674 CD PRO A 43 7.252 -3.538 -8.131 0.08 0.00 C ATOM 0 HA PRO A 43 6.325 -5.674 -10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.598 -3.433 -11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.006 -3.299 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.696 -2.709 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.209 -1.787 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.031 -3.447 -7.374 0.08 0.00 H new ATOM 0 HD3 PRO A 43 6.332 -3.153 -7.690 0.08 0.00 H new ATOM 682 N GLU A 44 8.419 -6.093 -11.807 0.93 0.00 N ATOM 683 CA GLU A 44 9.592 -6.720 -12.401 0.07 0.00 C ATOM 684 C GLU A 44 10.692 -5.690 -12.642 1.00 0.00 C ATOM 685 O GLU A 44 10.512 -4.746 -13.412 0.54 0.00 O ATOM 686 CB GLU A 44 9.217 -7.401 -13.718 0.27 0.00 C ATOM 687 CG GLU A 44 10.386 -8.094 -14.400 1.00 0.00 C ATOM 688 CD GLU A 44 9.993 -8.737 -15.715 0.08 0.00 C ATOM 689 OE1 GLU A 44 10.025 -8.040 -16.750 0.07 0.00 O ATOM 690 OE2 GLU A 44 9.651 -9.939 -15.711 0.15 0.00 O ATOM 0 H GLU A 44 7.622 -6.004 -12.438 0.93 0.00 H new ATOM 0 HA GLU A 44 9.967 -7.471 -11.706 0.07 0.00 H new ATOM 0 HB2 GLU A 44 8.432 -8.133 -13.528 0.27 0.00 H new ATOM 0 HB3 GLU A 44 8.801 -6.656 -14.397 0.27 0.00 H new ATOM 0 HG2 GLU A 44 11.181 -7.369 -14.577 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.792 -8.856 -13.734 1.00 0.00 H new ATOM 697 N GLY A 45 11.829 -5.878 -11.981 0.08 0.00 N ATOM 698 CA GLY A 45 12.941 -4.957 -12.138 0.20 0.00 C ATOM 699 C GLY A 45 13.228 -4.169 -10.874 0.39 0.00 C ATOM 700 O GLY A 45 13.724 -3.044 -10.936 0.14 0.00 O ATOM 0 H GLY A 45 12.001 -6.652 -11.339 0.08 0.00 H new ATOM 0 HA2 GLY A 45 13.833 -5.515 -12.424 0.20 0.00 H new ATOM 0 HA3 GLY A 45 12.723 -4.265 -12.952 0.20 0.00 H new ATOM 704 N THR A 46 12.916 -4.761 -9.726 0.14 0.00 N ATOM 705 CA THR A 46 13.145 -4.112 -8.440 0.52 0.00 C ATOM 706 C THR A 46 13.649 -5.116 -7.402 1.00 0.00 C ATOM 707 O THR A 46 13.451 -6.321 -7.554 0.12 0.00 O ATOM 708 CB THR A 46 11.860 -3.447 -7.911 1.00 0.00 C ATOM 709 OG1 THR A 46 10.787 -4.395 -7.897 0.11 0.00 O ATOM 710 CG2 THR A 46 11.475 -2.250 -8.768 0.50 0.00 C ATOM 0 H THR A 46 12.503 -5.691 -9.660 0.14 0.00 H new ATOM 0 HA THR A 46 13.903 -3.345 -8.601 0.52 0.00 H new ATOM 0 HB THR A 46 12.051 -3.099 -6.896 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.553 -4.638 -8.817 0.11 0.00 H new ATOM 0 HG21 THR A 46 10.565 -1.798 -8.374 0.50 0.00 H new ATOM 0 HG22 THR A 46 12.281 -1.516 -8.751 0.50 0.00 H new ATOM 0 HG23 THR A 46 11.303 -2.577 -9.793 0.50 0.00 H new ATOM 718 N PRO A 47 14.315 -4.636 -6.332 0.40 0.00 N ATOM 719 CA PRO A 47 14.836 -5.508 -5.274 0.56 0.00 C ATOM 720 C PRO A 47 13.720 -6.171 -4.474 1.00 0.00 C ATOM 721 O PRO A 47 13.978 -7.000 -3.600 1.00 0.00 O ATOM 722 CB PRO A 47 15.640 -4.560 -4.371 0.21 0.00 C ATOM 723 CG PRO A 47 15.804 -3.300 -5.154 0.34 0.00 C ATOM 724 CD PRO A 47 14.619 -3.221 -6.071 1.00 0.00 C ATOM 0 HA PRO A 47 15.429 -6.325 -5.685 0.56 0.00 H new ATOM 0 HB2 PRO A 47 15.116 -4.373 -3.434 0.21 0.00 H new ATOM 0 HB3 PRO A 47 16.608 -4.991 -4.114 0.21 0.00 H new ATOM 0 HG2 PRO A 47 15.844 -2.434 -4.494 0.34 0.00 H new ATOM 0 HG3 PRO A 47 16.735 -3.312 -5.721 0.34 0.00 H new ATOM 0 HD2 PRO A 47 13.779 -2.706 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 47 14.853 -2.681 -6.989 1.00 0.00 H new ATOM 732 N PHE A 48 12.482 -5.798 -4.777 1.00 0.00 N ATOM 733 CA PHE A 48 11.324 -6.349 -4.083 1.00 0.00 C ATOM 734 C PHE A 48 10.585 -7.354 -4.964 0.10 0.00 C ATOM 735 O PHE A 48 9.649 -8.015 -4.514 1.00 0.00 O ATOM 736 CB PHE A 48 10.374 -5.224 -3.672 1.00 0.00 C ATOM 737 CG PHE A 48 11.071 -4.041 -3.061 0.11 0.00 C ATOM 738 CD1 PHE A 48 11.558 -3.016 -3.860 0.07 0.00 C ATOM 739 CD2 PHE A 48 11.239 -3.949 -1.688 0.12 0.00 C ATOM 740 CE1 PHE A 48 12.198 -1.928 -3.301 0.06 0.00 C ATOM 741 CE2 PHE A 48 11.877 -2.861 -1.124 0.34 0.00 C ATOM 742 CZ PHE A 48 12.357 -1.848 -1.932 0.16 0.00 C ATOM 0 H PHE A 48 12.254 -5.115 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 48 11.678 -6.867 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.815 -4.894 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.648 -5.615 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.435 -3.070 -4.932 0.07 0.00 H new ATOM 0 HD2 PHE A 48 10.866 -4.738 -1.051 0.12 0.00 H new ATOM 0 HE1 PHE A 48 12.575 -1.139 -3.935 0.06 0.00 H new ATOM 0 HE2 PHE A 48 12.000 -2.802 -0.053 0.34 0.00 H new ATOM 0 HZ PHE A 48 12.855 -0.996 -1.494 0.16 0.00 H new ATOM 752 N GLU A 49 11.013 -7.460 -6.219 0.82 0.00 N ATOM 753 CA GLU A 49 10.393 -8.384 -7.166 0.50 0.00 C ATOM 754 C GLU A 49 10.406 -9.810 -6.624 0.80 0.00 C ATOM 755 O GLU A 49 9.490 -10.592 -6.878 0.89 0.00 O ATOM 756 CB GLU A 49 11.121 -8.332 -8.512 0.47 0.00 C ATOM 757 CG GLU A 49 12.484 -9.009 -8.502 0.44 0.00 C ATOM 758 CD GLU A 49 13.197 -8.910 -9.835 0.05 0.00 C ATOM 759 OE1 GLU A 49 12.930 -9.753 -10.716 1.00 0.00 O ATOM 760 OE2 GLU A 49 14.025 -7.988 -9.998 1.00 0.00 O ATOM 0 H GLU A 49 11.786 -6.918 -6.604 0.82 0.00 H new ATOM 0 HA GLU A 49 9.357 -8.078 -7.308 0.50 0.00 H new ATOM 0 HB2 GLU A 49 10.497 -8.805 -9.270 0.47 0.00 H new ATOM 0 HB3 GLU A 49 11.246 -7.290 -8.807 0.47 0.00 H new ATOM 0 HG2 GLU A 49 13.104 -8.556 -7.729 0.44 0.00 H new ATOM 0 HG3 GLU A 49 12.361 -10.059 -8.238 0.44 0.00 H new ATOM 767 N ASP A 50 11.453 -10.140 -5.873 0.18 0.00 N ATOM 768 CA ASP A 50 11.599 -11.470 -5.297 1.00 0.00 C ATOM 769 C ASP A 50 10.854 -11.585 -3.970 0.32 0.00 C ATOM 770 O ASP A 50 10.246 -12.614 -3.675 0.07 0.00 O ATOM 771 CB ASP A 50 13.080 -11.796 -5.091 0.05 0.00 C ATOM 772 CG ASP A 50 13.885 -11.668 -6.369 0.12 0.00 C ATOM 773 OD1 ASP A 50 13.924 -12.644 -7.147 0.80 0.00 O ATOM 774 OD2 ASP A 50 14.476 -10.590 -6.592 0.45 0.00 O ATOM 0 H ASP A 50 12.215 -9.500 -5.649 0.18 0.00 H new ATOM 0 HA ASP A 50 11.164 -12.186 -5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.494 -11.128 -4.336 0.05 0.00 H new ATOM 0 HB3 ASP A 50 13.175 -12.811 -4.705 0.05 0.00 H new ATOM 779 N GLY A 51 10.905 -10.520 -3.176 0.12 0.00 N ATOM 780 CA GLY A 51 10.240 -10.522 -1.885 1.00 0.00 C ATOM 781 C GLY A 51 8.755 -10.230 -1.983 1.00 0.00 C ATOM 782 O GLY A 51 8.252 -9.879 -3.050 1.00 0.00 O ATOM 0 H GLY A 51 11.395 -9.655 -3.404 0.12 0.00 H new ATOM 0 HA2 GLY A 51 10.383 -11.493 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.709 -9.779 -1.240 1.00 0.00 H new ATOM 786 N THR A 52 8.056 -10.378 -0.862 0.14 0.00 N ATOM 787 CA THR A 52 6.620 -10.128 -0.809 0.59 0.00 C ATOM 788 C THR A 52 6.267 -9.252 0.388 0.66 0.00 C ATOM 789 O THR A 52 6.932 -9.304 1.423 0.91 0.00 O ATOM 790 CB THR A 52 5.822 -11.444 -0.719 0.17 0.00 C ATOM 791 OG1 THR A 52 6.132 -12.123 0.503 0.14 0.00 O ATOM 792 CG2 THR A 52 6.136 -12.352 -1.899 1.00 0.00 C ATOM 0 H THR A 52 8.463 -10.671 0.026 0.14 0.00 H new ATOM 0 HA THR A 52 6.351 -9.613 -1.731 0.59 0.00 H new ATOM 0 HB THR A 52 4.760 -11.199 -0.741 0.17 0.00 H new ATOM 0 HG1 THR A 52 5.620 -12.957 0.553 0.14 0.00 H new ATOM 0 HG21 THR A 52 5.561 -13.274 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.873 -11.846 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.200 -12.588 -1.904 1.00 0.00 H new ATOM 800 N PHE A 53 5.220 -8.444 0.241 1.00 0.00 N ATOM 801 CA PHE A 53 4.787 -7.555 1.315 0.50 0.00 C ATOM 802 C PHE A 53 3.272 -7.577 1.473 0.38 0.00 C ATOM 803 O PHE A 53 2.538 -7.766 0.503 1.00 0.00 O ATOM 804 CB PHE A 53 5.262 -6.127 1.050 0.24 0.00 C ATOM 805 CG PHE A 53 6.741 -5.942 1.224 1.00 0.00 C ATOM 806 CD1 PHE A 53 7.614 -6.220 0.185 0.14 0.00 C ATOM 807 CD2 PHE A 53 7.259 -5.494 2.428 1.00 0.00 C ATOM 808 CE1 PHE A 53 8.977 -6.052 0.344 0.07 0.00 C ATOM 809 CE2 PHE A 53 8.621 -5.324 2.593 1.00 0.00 C ATOM 810 CZ PHE A 53 9.480 -5.604 1.548 0.07 0.00 C ATOM 0 H PHE A 53 4.658 -8.387 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 53 5.233 -7.913 2.243 0.50 0.00 H new ATOM 0 HB2 PHE A 53 4.986 -5.844 0.034 0.24 0.00 H new ATOM 0 HB3 PHE A 53 4.738 -5.448 1.723 0.24 0.00 H new ATOM 0 HD1 PHE A 53 7.226 -6.572 -0.759 0.14 0.00 H new ATOM 0 HD2 PHE A 53 6.591 -5.275 3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.648 -6.271 -0.474 0.07 0.00 H new ATOM 0 HE2 PHE A 53 9.012 -4.973 3.536 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.545 -5.472 1.673 0.07 0.00 H new ATOM 820 N LYS A 54 2.811 -7.383 2.705 1.00 0.00 N ATOM 821 CA LYS A 54 1.384 -7.376 3.000 0.12 0.00 C ATOM 822 C LYS A 54 0.991 -6.103 3.742 1.00 0.00 C ATOM 823 O LYS A 54 1.740 -5.608 4.584 1.00 0.00 O ATOM 824 CB LYS A 54 1.008 -8.601 3.836 1.00 0.00 C ATOM 825 CG LYS A 54 1.340 -9.923 3.163 1.00 0.00 C ATOM 826 CD LYS A 54 0.938 -11.103 4.032 0.73 0.00 C ATOM 827 CE LYS A 54 1.284 -12.425 3.370 0.70 0.00 C ATOM 828 NZ LYS A 54 0.590 -12.592 2.062 0.09 0.00 N ATOM 0 H LYS A 54 3.408 -7.228 3.517 1.00 0.00 H new ATOM 0 HA LYS A 54 0.842 -7.409 2.055 0.12 0.00 H new ATOM 0 HB2 LYS A 54 1.527 -8.550 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.060 -8.570 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.826 -9.984 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.409 -9.969 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.442 -11.035 4.996 0.73 0.00 H new ATOM 0 HD3 LYS A 54 -0.133 -11.063 4.229 0.73 0.00 H new ATOM 0 HE2 LYS A 54 2.362 -12.484 3.219 0.70 0.00 H new ATOM 0 HE3 LYS A 54 1.010 -13.245 4.033 0.70 0.00 H new ATOM 0 HZ1 LYS A 54 0.716 -13.568 1.724 0.09 0.00 H new ATOM 0 HZ2 LYS A 54 -0.424 -12.394 2.179 0.09 0.00 H new ATOM 0 HZ3 LYS A 54 0.994 -11.931 1.368 0.09 0.00 H new ATOM 842 N LEU A 55 -0.188 -5.577 3.424 0.48 0.00 N ATOM 843 CA LEU A 55 -0.678 -4.360 4.062 0.09 0.00 C ATOM 844 C LEU A 55 -2.179 -4.445 4.334 1.00 0.00 C ATOM 845 O LEU A 55 -2.870 -5.304 3.785 0.19 0.00 O ATOM 846 CB LEU A 55 -0.361 -3.119 3.209 1.00 0.00 C ATOM 847 CG LEU A 55 -0.496 -3.273 1.683 0.76 0.00 C ATOM 848 CD1 LEU A 55 0.659 -4.079 1.110 0.42 0.00 C ATOM 849 CD2 LEU A 55 -1.827 -3.911 1.308 0.10 0.00 C ATOM 0 H LEU A 55 -0.821 -5.974 2.729 0.48 0.00 H new ATOM 0 HA LEU A 55 -0.161 -4.262 5.017 0.09 0.00 H new ATOM 0 HB2 LEU A 55 -1.018 -2.310 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.660 -2.806 3.430 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.465 -2.273 1.250 0.76 0.00 H new ATOM 0 HD11 LEU A 55 0.538 -4.172 0.031 0.42 0.00 H new ATOM 0 HD12 LEU A 55 1.599 -3.572 1.327 0.42 0.00 H new ATOM 0 HD13 LEU A 55 0.669 -5.071 1.561 0.42 0.00 H new ATOM 0 HD21 LEU A 55 -1.892 -4.006 0.224 0.10 0.00 H new ATOM 0 HD22 LEU A 55 -1.898 -4.898 1.764 0.10 0.00 H new ATOM 0 HD23 LEU A 55 -2.644 -3.286 1.667 0.10 0.00 H new ATOM 861 N VAL A 56 -2.673 -3.554 5.188 0.09 0.00 N ATOM 862 CA VAL A 56 -4.090 -3.526 5.531 0.87 0.00 C ATOM 863 C VAL A 56 -4.726 -2.200 5.121 0.10 0.00 C ATOM 864 O VAL A 56 -4.108 -1.140 5.242 0.09 0.00 O ATOM 865 CB VAL A 56 -4.307 -3.749 7.042 0.21 0.00 C ATOM 866 CG1 VAL A 56 -3.537 -2.720 7.853 0.28 0.00 C ATOM 867 CG2 VAL A 56 -5.789 -3.709 7.386 0.18 0.00 C ATOM 0 H VAL A 56 -2.112 -2.842 5.655 0.09 0.00 H new ATOM 0 HA VAL A 56 -4.568 -4.338 4.983 0.87 0.00 H new ATOM 0 HB VAL A 56 -3.926 -4.738 7.298 0.21 0.00 H new ATOM 0 HG11 VAL A 56 -3.704 -2.895 8.916 0.28 0.00 H new ATOM 0 HG12 VAL A 56 -2.473 -2.806 7.634 0.28 0.00 H new ATOM 0 HG13 VAL A 56 -3.881 -1.719 7.592 0.28 0.00 H new ATOM 0 HG21 VAL A 56 -5.918 -3.869 8.456 0.18 0.00 H new ATOM 0 HG22 VAL A 56 -6.200 -2.738 7.112 0.18 0.00 H new ATOM 0 HG23 VAL A 56 -6.311 -4.492 6.837 0.18 0.00 H new ATOM 877 N ILE A 57 -5.961 -2.266 4.633 1.00 0.00 N ATOM 878 CA ILE A 57 -6.681 -1.071 4.206 1.00 0.00 C ATOM 879 C ILE A 57 -8.021 -0.963 4.923 0.08 0.00 C ATOM 880 O ILE A 57 -8.939 -1.742 4.664 0.33 0.00 O ATOM 881 CB ILE A 57 -6.923 -1.067 2.681 0.23 0.00 C ATOM 882 CG1 ILE A 57 -5.625 -1.363 1.927 0.19 0.00 C ATOM 883 CG2 ILE A 57 -7.504 0.268 2.239 0.06 0.00 C ATOM 884 CD1 ILE A 57 -5.344 -2.841 1.755 0.13 0.00 C ATOM 0 H ILE A 57 -6.484 -3.135 4.523 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.058 -0.215 4.464 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.641 -1.852 2.445 0.23 0.00 H new ATOM 0 HG12 ILE A 57 -5.671 -0.894 0.944 0.19 0.00 H new ATOM 0 HG13 ILE A 57 -4.793 -0.904 2.460 0.19 0.00 H new ATOM 0 HG21 ILE A 57 -7.669 0.254 1.162 0.06 0.00 H new ATOM 0 HG22 ILE A 57 -8.452 0.439 2.749 0.06 0.00 H new ATOM 0 HG23 ILE A 57 -6.808 1.069 2.490 0.06 0.00 H new ATOM 0 HD11 ILE A 57 -4.408 -2.973 1.212 0.13 0.00 H new ATOM 0 HD12 ILE A 57 -5.265 -3.313 2.734 0.13 0.00 H new ATOM 0 HD13 ILE A 57 -6.157 -3.303 1.195 0.13 0.00 H new ATOM 896 N GLU A 58 -8.128 0.010 5.823 1.00 0.00 N ATOM 897 CA GLU A 58 -9.355 0.219 6.582 0.73 0.00 C ATOM 898 C GLU A 58 -10.122 1.431 6.069 0.19 0.00 C ATOM 899 O GLU A 58 -9.570 2.526 5.957 1.00 0.00 O ATOM 900 CB GLU A 58 -9.037 0.398 8.067 1.00 0.00 C ATOM 901 CG GLU A 58 -8.403 -0.828 8.705 0.39 0.00 C ATOM 902 CD GLU A 58 -8.123 -0.637 10.183 1.00 0.00 C ATOM 903 OE1 GLU A 58 -9.037 -0.893 10.997 1.00 0.00 O ATOM 904 OE2 GLU A 58 -6.993 -0.234 10.525 0.13 0.00 O ATOM 0 H GLU A 58 -7.379 0.666 6.044 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.981 -0.663 6.452 0.73 0.00 H new ATOM 0 HB2 GLU A 58 -8.365 1.248 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.956 0.641 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.063 -1.685 8.572 0.39 0.00 H new ATOM 0 HG3 GLU A 58 -7.471 -1.061 8.189 0.39 0.00 H new ATOM 911 N PHE A 59 -11.398 1.226 5.758 0.73 0.00 N ATOM 912 CA PHE A 59 -12.247 2.302 5.263 1.00 0.00 C ATOM 913 C PHE A 59 -13.192 2.786 6.360 0.63 0.00 C ATOM 914 O PHE A 59 -13.609 2.008 7.217 0.34 0.00 O ATOM 915 CB PHE A 59 -13.055 1.828 4.053 1.00 0.00 C ATOM 916 CG PHE A 59 -12.211 1.269 2.942 0.83 0.00 C ATOM 917 CD1 PHE A 59 -11.706 2.100 1.953 1.00 0.00 C ATOM 918 CD2 PHE A 59 -11.927 -0.086 2.883 0.74 0.00 C ATOM 919 CE1 PHE A 59 -10.933 1.589 0.927 0.07 0.00 C ATOM 920 CE2 PHE A 59 -11.156 -0.604 1.860 0.35 0.00 C ATOM 921 CZ PHE A 59 -10.659 0.235 0.880 0.12 0.00 C ATOM 0 H PHE A 59 -11.866 0.324 5.840 0.73 0.00 H new ATOM 0 HA PHE A 59 -11.607 3.131 4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.764 1.066 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.639 2.664 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.919 3.158 1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.313 -0.745 3.646 0.74 0.00 H new ATOM 0 HE1 PHE A 59 -10.544 2.247 0.164 0.07 0.00 H new ATOM 0 HE2 PHE A 59 -10.942 -1.662 1.826 0.35 0.00 H new ATOM 0 HZ PHE A 59 -10.057 -0.167 0.078 0.12 0.00 H new ATOM 931 N SER A 60 -13.527 4.073 6.326 1.00 0.00 N ATOM 932 CA SER A 60 -14.424 4.651 7.319 0.08 0.00 C ATOM 933 C SER A 60 -15.853 4.718 6.790 0.06 0.00 C ATOM 934 O SER A 60 -16.072 4.810 5.581 1.00 0.00 O ATOM 935 CB SER A 60 -13.947 6.050 7.715 0.17 0.00 C ATOM 936 OG SER A 60 -14.788 6.611 8.708 1.00 0.00 O ATOM 0 H SER A 60 -13.192 4.732 5.624 1.00 0.00 H new ATOM 0 HA SER A 60 -14.413 4.008 8.199 0.08 0.00 H new ATOM 0 HB2 SER A 60 -12.924 5.997 8.087 0.17 0.00 H new ATOM 0 HB3 SER A 60 -13.934 6.696 6.837 0.17 0.00 H new ATOM 0 HG SER A 60 -14.312 7.332 9.171 1.00 0.00 H new ATOM 942 N GLU A 61 -16.819 4.669 7.701 0.87 0.00 N ATOM 943 CA GLU A 61 -18.228 4.723 7.327 1.00 0.00 C ATOM 944 C GLU A 61 -18.662 6.156 7.045 0.10 0.00 C ATOM 945 O GLU A 61 -19.802 6.405 6.654 0.31 0.00 O ATOM 946 CB GLU A 61 -19.095 4.123 8.435 0.08 0.00 C ATOM 947 CG GLU A 61 -18.763 2.675 8.755 1.00 0.00 C ATOM 948 CD GLU A 61 -18.999 1.751 7.578 1.00 0.00 C ATOM 949 OE1 GLU A 61 -18.069 1.578 6.764 0.36 0.00 O ATOM 950 OE2 GLU A 61 -20.115 1.198 7.472 0.09 0.00 O ATOM 0 H GLU A 61 -16.652 4.592 8.704 0.87 0.00 H new ATOM 0 HA GLU A 61 -18.359 4.138 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -18.979 4.721 9.339 0.08 0.00 H new ATOM 0 HB3 GLU A 61 -20.142 4.190 8.141 0.08 0.00 H new ATOM 0 HG2 GLU A 61 -17.720 2.605 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -19.369 2.345 9.599 1.00 0.00 H new ATOM 957 N GLU A 62 -17.743 7.092 7.249 1.00 0.00 N ATOM 958 CA GLU A 62 -18.020 8.504 7.020 1.00 0.00 C ATOM 959 C GLU A 62 -18.470 8.748 5.585 0.63 0.00 C ATOM 960 O GLU A 62 -19.667 8.806 5.302 1.00 0.00 O ATOM 961 CB GLU A 62 -16.777 9.339 7.332 0.16 0.00 C ATOM 962 CG GLU A 62 -16.378 9.306 8.798 1.00 0.00 C ATOM 963 CD GLU A 62 -15.117 10.100 9.078 0.59 0.00 C ATOM 964 OE1 GLU A 62 -14.015 9.584 8.790 0.38 0.00 O ATOM 965 OE2 GLU A 62 -15.231 11.235 9.583 0.13 0.00 O ATOM 0 H GLU A 62 -16.796 6.897 7.574 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.830 8.805 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.945 8.977 6.729 0.16 0.00 H new ATOM 0 HB3 GLU A 62 -16.959 10.372 7.036 0.16 0.00 H new ATOM 0 HG2 GLU A 62 -17.194 9.703 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.227 8.271 9.106 1.00 0.00 H new ATOM 972 N TYR A 63 -17.507 8.885 4.681 0.05 0.00 N ATOM 973 CA TYR A 63 -17.803 9.120 3.273 1.00 0.00 C ATOM 974 C TYR A 63 -16.737 8.482 2.383 0.46 0.00 C ATOM 975 O TYR A 63 -15.564 8.430 2.754 0.12 0.00 O ATOM 976 CB TYR A 63 -17.888 10.622 2.984 0.20 0.00 C ATOM 977 CG TYR A 63 -19.083 11.301 3.618 1.00 0.00 C ATOM 978 CD1 TYR A 63 -20.339 11.229 3.030 0.66 0.00 C ATOM 979 CD2 TYR A 63 -18.952 12.015 4.802 0.10 0.00 C ATOM 980 CE1 TYR A 63 -21.433 11.848 3.604 0.13 0.00 C ATOM 981 CE2 TYR A 63 -20.041 12.637 5.383 0.89 0.00 C ATOM 982 CZ TYR A 63 -21.278 12.551 4.779 0.40 0.00 C ATOM 983 OH TYR A 63 -22.365 13.170 5.353 0.20 0.00 O ATOM 0 H TYR A 63 -16.512 8.837 4.899 0.05 0.00 H new ATOM 0 HA TYR A 63 -18.767 8.662 3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.977 11.103 3.341 0.20 0.00 H new ATOM 0 HB3 TYR A 63 -17.926 10.773 1.905 0.20 0.00 H new ATOM 0 HD1 TYR A 63 -20.463 10.680 2.108 0.66 0.00 H new ATOM 0 HD2 TYR A 63 -17.984 12.085 5.276 0.10 0.00 H new ATOM 0 HE1 TYR A 63 -22.403 11.781 3.135 0.13 0.00 H new ATOM 0 HE2 TYR A 63 -19.924 13.187 6.305 0.89 0.00 H new ATOM 0 HH TYR A 63 -22.087 13.621 6.177 0.20 0.00 H new ATOM 993 N PRO A 64 -17.129 7.983 1.197 1.00 0.00 N ATOM 994 CA PRO A 64 -16.192 7.351 0.261 0.06 0.00 C ATOM 995 C PRO A 64 -15.121 8.320 -0.227 0.14 0.00 C ATOM 996 O PRO A 64 -14.125 7.911 -0.825 0.06 0.00 O ATOM 997 CB PRO A 64 -17.082 6.909 -0.908 0.20 0.00 C ATOM 998 CG PRO A 64 -18.471 6.906 -0.365 0.09 0.00 C ATOM 999 CD PRO A 64 -18.505 7.986 0.675 0.27 0.00 C ATOM 0 HA PRO A 64 -15.648 6.531 0.729 0.06 0.00 H new ATOM 0 HB2 PRO A 64 -16.991 7.593 -1.752 0.20 0.00 H new ATOM 0 HB3 PRO A 64 -16.798 5.920 -1.267 0.20 0.00 H new ATOM 0 HG2 PRO A 64 -19.199 7.099 -1.153 0.09 0.00 H new ATOM 0 HG3 PRO A 64 -18.719 5.937 0.069 0.09 0.00 H new ATOM 0 HD2 PRO A 64 -18.772 8.952 0.246 0.27 0.00 H new ATOM 0 HD3 PRO A 64 -19.234 7.772 1.456 0.27 0.00 H new ATOM 1007 N ASN A 65 -15.331 9.608 0.032 0.18 0.00 N ATOM 1008 CA ASN A 65 -14.386 10.639 -0.385 0.67 0.00 C ATOM 1009 C ASN A 65 -13.328 10.884 0.686 0.33 0.00 C ATOM 1010 O ASN A 65 -12.239 11.377 0.392 0.81 0.00 O ATOM 1011 CB ASN A 65 -15.126 11.944 -0.694 0.20 0.00 C ATOM 1012 CG ASN A 65 -14.181 13.073 -1.055 0.06 0.00 C ATOM 1013 OD1 ASN A 65 -13.850 13.270 -2.223 0.22 0.00 O ATOM 1014 ND2 ASN A 65 -13.740 13.820 -0.050 0.98 0.00 N ATOM 0 H ASN A 65 -16.148 9.962 0.529 0.18 0.00 H new ATOM 0 HA ASN A 65 -13.885 10.288 -1.287 0.67 0.00 H new ATOM 0 HB2 ASN A 65 -15.821 11.778 -1.517 0.20 0.00 H new ATOM 0 HB3 ASN A 65 -15.721 12.235 0.172 0.20 0.00 H new ATOM 0 HD21 ASN A 65 -13.100 14.593 -0.232 0.98 0.00 H new ATOM 0 HD22 ASN A 65 -14.041 13.621 0.904 0.98 0.00 H new ATOM 1021 N LYS A 66 -13.652 10.536 1.930 1.00 0.00 N ATOM 1022 CA LYS A 66 -12.723 10.726 3.042 0.06 0.00 C ATOM 1023 C LYS A 66 -11.418 9.971 2.798 1.00 0.00 C ATOM 1024 O LYS A 66 -11.404 8.955 2.102 1.00 0.00 O ATOM 1025 CB LYS A 66 -13.356 10.258 4.355 0.07 0.00 C ATOM 1026 CG LYS A 66 -14.654 10.974 4.699 0.23 0.00 C ATOM 1027 CD LYS A 66 -14.453 12.477 4.836 1.00 0.00 C ATOM 1028 CE LYS A 66 -13.555 12.818 6.015 0.12 0.00 C ATOM 1029 NZ LYS A 66 -14.130 12.350 7.305 1.00 0.00 N ATOM 0 H LYS A 66 -14.547 10.123 2.193 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.500 11.791 3.114 0.06 0.00 H new ATOM 0 HB2 LYS A 66 -13.548 9.187 4.294 0.07 0.00 H new ATOM 0 HB3 LYS A 66 -12.643 10.408 5.166 0.07 0.00 H new ATOM 0 HG2 LYS A 66 -15.395 10.776 3.924 0.23 0.00 H new ATOM 0 HG3 LYS A 66 -15.053 10.574 5.631 0.23 0.00 H new ATOM 0 HD2 LYS A 66 -14.015 12.871 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.420 12.964 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.575 12.363 5.868 0.12 0.00 H new ATOM 0 HE3 LYS A 66 -13.403 13.897 6.055 0.12 0.00 H new ATOM 0 HZ1 LYS A 66 -14.151 13.139 7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.098 12.002 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.544 11.581 7.688 1.00 0.00 H new ATOM 1043 N PRO A 67 -10.301 10.455 3.375 0.14 0.00 N ATOM 1044 CA PRO A 67 -8.992 9.813 3.213 0.05 0.00 C ATOM 1045 C PRO A 67 -8.931 8.450 3.907 1.00 0.00 C ATOM 1046 O PRO A 67 -9.136 8.359 5.116 1.00 0.00 O ATOM 1047 CB PRO A 67 -8.025 10.795 3.883 1.00 0.00 C ATOM 1048 CG PRO A 67 -8.865 11.552 4.855 1.00 0.00 C ATOM 1049 CD PRO A 67 -10.225 11.658 4.226 0.35 0.00 C ATOM 0 HA PRO A 67 -8.760 9.616 2.166 0.05 0.00 H new ATOM 0 HB2 PRO A 67 -7.213 10.270 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.568 11.462 3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.917 11.035 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.446 12.539 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.015 11.670 4.977 0.35 0.00 H new ATOM 0 HD3 PRO A 67 -10.327 12.572 3.641 0.35 0.00 H new ATOM 1057 N PRO A 68 -8.650 7.368 3.151 0.48 0.00 N ATOM 1058 CA PRO A 68 -8.572 6.015 3.714 0.18 0.00 C ATOM 1059 C PRO A 68 -7.411 5.853 4.691 0.18 0.00 C ATOM 1060 O PRO A 68 -6.717 6.816 5.016 0.16 0.00 O ATOM 1061 CB PRO A 68 -8.361 5.123 2.488 1.00 0.00 C ATOM 1062 CG PRO A 68 -7.774 6.022 1.458 0.09 0.00 C ATOM 1063 CD PRO A 68 -8.386 7.374 1.699 0.12 0.00 C ATOM 0 HA PRO A 68 -9.465 5.769 4.289 0.18 0.00 H new ATOM 0 HB2 PRO A 68 -7.693 4.292 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.302 4.692 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.688 6.063 1.547 0.09 0.00 H new ATOM 0 HG3 PRO A 68 -7.998 5.665 0.453 0.09 0.00 H new ATOM 0 HD2 PRO A 68 -7.708 8.179 1.416 0.12 0.00 H new ATOM 0 HD3 PRO A 68 -9.302 7.510 1.123 0.12 0.00 H new ATOM 1071 N THR A 69 -7.212 4.622 5.154 0.21 0.00 N ATOM 1072 CA THR A 69 -6.144 4.310 6.091 0.05 0.00 C ATOM 1073 C THR A 69 -5.369 3.089 5.619 0.70 0.00 C ATOM 1074 O THR A 69 -5.900 1.979 5.595 0.79 0.00 O ATOM 1075 CB THR A 69 -6.692 4.048 7.509 0.17 0.00 C ATOM 1076 OG1 THR A 69 -7.421 5.190 7.974 1.00 0.00 O ATOM 1077 CG2 THR A 69 -5.562 3.735 8.478 0.27 0.00 C ATOM 0 H THR A 69 -7.784 3.819 4.891 0.21 0.00 H new ATOM 0 HA THR A 69 -5.482 5.175 6.131 0.05 0.00 H new ATOM 0 HB THR A 69 -7.358 3.187 7.461 0.17 0.00 H new ATOM 0 HG1 THR A 69 -7.766 5.013 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.974 3.554 9.471 0.27 0.00 H new ATOM 0 HG22 THR A 69 -5.028 2.847 8.139 0.27 0.00 H new ATOM 0 HG23 THR A 69 -4.874 4.579 8.519 0.27 0.00 H new ATOM 1085 N VAL A 70 -4.114 3.294 5.243 1.00 0.00 N ATOM 1086 CA VAL A 70 -3.282 2.205 4.759 0.26 0.00 C ATOM 1087 C VAL A 70 -1.949 2.151 5.498 1.00 0.00 C ATOM 1088 O VAL A 70 -1.325 3.182 5.752 0.23 0.00 O ATOM 1089 CB VAL A 70 -3.024 2.342 3.248 0.09 0.00 C ATOM 1090 CG1 VAL A 70 -2.123 1.223 2.747 0.10 0.00 C ATOM 1091 CG2 VAL A 70 -4.340 2.355 2.486 0.22 0.00 C ATOM 0 H VAL A 70 -3.652 4.203 5.264 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.824 1.278 4.949 0.26 0.00 H new ATOM 0 HB VAL A 70 -2.513 3.288 3.072 0.09 0.00 H new ATOM 0 HG11 VAL A 70 -1.956 1.342 1.677 0.10 0.00 H new ATOM 0 HG12 VAL A 70 -1.168 1.263 3.270 0.10 0.00 H new ATOM 0 HG13 VAL A 70 -2.599 0.261 2.935 0.10 0.00 H new ATOM 0 HG21 VAL A 70 -4.141 2.452 1.419 0.22 0.00 H new ATOM 0 HG22 VAL A 70 -4.877 1.425 2.672 0.22 0.00 H new ATOM 0 HG23 VAL A 70 -4.946 3.197 2.821 0.22 0.00 H new ATOM 1101 N ARG A 71 -1.521 0.939 5.840 1.00 0.00 N ATOM 1102 CA ARG A 71 -0.265 0.738 6.551 1.00 0.00 C ATOM 1103 C ARG A 71 0.137 -0.735 6.539 0.13 0.00 C ATOM 1104 O ARG A 71 -0.657 -1.608 6.893 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.390 1.234 7.994 1.00 0.00 C ATOM 1106 CG ARG A 71 -1.558 0.623 8.748 0.13 0.00 C ATOM 1107 CD ARG A 71 -1.657 1.167 10.164 0.42 0.00 C ATOM 1108 NE ARG A 71 -2.777 0.584 10.896 0.23 0.00 N ATOM 1109 CZ ARG A 71 -3.037 0.839 12.175 0.06 0.00 C ATOM 1110 NH1 ARG A 71 -2.264 1.671 12.861 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -4.073 0.266 12.769 0.59 0.00 N ATOM 0 H ARG A 71 -2.029 0.079 5.635 1.00 0.00 H new ATOM 0 HA ARG A 71 0.510 1.311 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.533 1.010 8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.499 2.318 7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.485 0.829 8.213 0.13 0.00 H new ATOM 0 HG3 ARG A 71 -1.443 -0.460 8.781 0.13 0.00 H new ATOM 0 HD2 ARG A 71 -0.729 0.961 10.697 0.42 0.00 H new ATOM 0 HD3 ARG A 71 -1.771 2.250 10.129 0.42 0.00 H new ATOM 0 HE ARG A 71 -3.396 -0.056 10.398 0.23 0.00 H new ATOM 0 HH11 ARG A 71 -1.467 2.118 12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.467 1.864 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.673 -0.372 12.245 0.59 0.00 H new ATOM 0 HH22 ARG A 71 -4.271 0.462 13.750 0.59 0.00 H new ATOM 1125 N PHE A 72 1.370 -1.004 6.124 0.17 0.00 N ATOM 1126 CA PHE A 72 1.879 -2.371 6.065 1.00 0.00 C ATOM 1127 C PHE A 72 1.859 -3.017 7.447 1.00 0.00 C ATOM 1128 O PHE A 72 2.402 -2.470 8.407 1.00 0.00 O ATOM 1129 CB PHE A 72 3.303 -2.386 5.508 1.00 0.00 C ATOM 1130 CG PHE A 72 3.381 -2.122 4.029 0.13 0.00 C ATOM 1131 CD1 PHE A 72 2.941 -0.919 3.498 0.07 0.00 C ATOM 1132 CD2 PHE A 72 3.901 -3.078 3.172 0.80 0.00 C ATOM 1133 CE1 PHE A 72 3.018 -0.676 2.140 0.06 0.00 C ATOM 1134 CE2 PHE A 72 3.980 -2.840 1.812 0.09 0.00 C ATOM 1135 CZ PHE A 72 3.537 -1.639 1.296 0.43 0.00 C ATOM 0 H PHE A 72 2.037 -0.293 5.823 0.17 0.00 H new ATOM 0 HA PHE A 72 1.230 -2.944 5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.896 -1.637 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.755 -3.355 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.534 -0.163 4.153 0.07 0.00 H new ATOM 0 HD2 PHE A 72 4.249 -4.020 3.570 0.80 0.00 H new ATOM 0 HE1 PHE A 72 2.673 0.265 1.739 0.06 0.00 H new ATOM 0 HE2 PHE A 72 4.388 -3.593 1.154 0.09 0.00 H new ATOM 0 HZ PHE A 72 3.596 -1.452 0.234 0.43 0.00 H new ATOM 1145 N LEU A 73 1.229 -4.187 7.540 1.00 0.00 N ATOM 1146 CA LEU A 73 1.142 -4.909 8.804 0.48 0.00 C ATOM 1147 C LEU A 73 2.530 -5.255 9.331 0.66 0.00 C ATOM 1148 O LEU A 73 2.779 -5.199 10.536 0.16 0.00 O ATOM 1149 CB LEU A 73 0.314 -6.186 8.630 0.43 0.00 C ATOM 1150 CG LEU A 73 -1.172 -5.963 8.342 1.00 0.00 C ATOM 1151 CD1 LEU A 73 -1.857 -7.284 8.032 0.05 0.00 C ATOM 1152 CD2 LEU A 73 -1.847 -5.275 9.521 0.93 0.00 C ATOM 0 H LEU A 73 0.773 -4.653 6.756 1.00 0.00 H new ATOM 0 HA LEU A 73 0.650 -4.262 9.530 0.48 0.00 H new ATOM 0 HB2 LEU A 73 0.742 -6.770 7.815 0.43 0.00 H new ATOM 0 HB3 LEU A 73 0.406 -6.786 9.535 0.43 0.00 H new ATOM 0 HG LEU A 73 -1.261 -5.315 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.913 -7.107 7.830 0.05 0.00 H new ATOM 0 HD12 LEU A 73 -1.391 -7.739 7.158 0.05 0.00 H new ATOM 0 HD13 LEU A 73 -1.758 -7.954 8.886 0.05 0.00 H new ATOM 0 HD21 LEU A 73 -2.903 -5.124 9.298 0.93 0.00 H new ATOM 0 HD22 LEU A 73 -1.749 -5.897 10.410 0.93 0.00 H new ATOM 0 HD23 LEU A 73 -1.373 -4.310 9.699 0.93 0.00 H new ATOM 1164 N SER A 74 3.431 -5.614 8.422 0.51 0.00 N ATOM 1165 CA SER A 74 4.797 -5.967 8.797 0.88 0.00 C ATOM 1166 C SER A 74 5.712 -4.747 8.734 0.18 0.00 C ATOM 1167 O SER A 74 5.281 -3.655 8.365 1.00 0.00 O ATOM 1168 CB SER A 74 5.335 -7.068 7.881 0.39 0.00 C ATOM 1169 OG SER A 74 4.545 -8.239 7.971 0.21 0.00 O ATOM 0 H SER A 74 3.241 -5.668 7.421 0.51 0.00 H new ATOM 0 HA SER A 74 4.779 -6.335 9.823 0.88 0.00 H new ATOM 0 HB2 SER A 74 5.348 -6.713 6.850 0.39 0.00 H new ATOM 0 HB3 SER A 74 6.365 -7.299 8.152 0.39 0.00 H new ATOM 0 HG SER A 74 4.909 -8.926 7.375 0.21 0.00 H new ATOM 1175 N LYS A 75 6.975 -4.943 9.098 1.00 0.00 N ATOM 1176 CA LYS A 75 7.955 -3.861 9.081 0.12 0.00 C ATOM 1177 C LYS A 75 8.511 -3.660 7.673 1.00 0.00 C ATOM 1178 O LYS A 75 8.557 -4.596 6.876 0.18 0.00 O ATOM 1179 CB LYS A 75 9.095 -4.164 10.060 0.26 0.00 C ATOM 1180 CG LYS A 75 10.176 -3.092 10.099 0.53 0.00 C ATOM 1181 CD LYS A 75 9.650 -1.779 10.659 0.07 0.00 C ATOM 1182 CE LYS A 75 9.345 -1.885 12.146 0.09 0.00 C ATOM 1183 NZ LYS A 75 10.564 -2.188 12.945 0.40 0.00 N ATOM 0 H LYS A 75 7.345 -5.841 9.409 1.00 0.00 H new ATOM 0 HA LYS A 75 7.458 -2.942 9.390 0.12 0.00 H new ATOM 0 HB2 LYS A 75 8.679 -4.284 11.061 0.26 0.00 H new ATOM 0 HB3 LYS A 75 9.551 -5.116 9.788 0.26 0.00 H new ATOM 0 HG2 LYS A 75 11.010 -3.439 10.709 0.53 0.00 H new ATOM 0 HG3 LYS A 75 10.563 -2.929 9.093 0.53 0.00 H new ATOM 0 HD2 LYS A 75 10.385 -0.992 10.493 0.07 0.00 H new ATOM 0 HD3 LYS A 75 8.747 -1.490 10.122 0.07 0.00 H new ATOM 0 HE2 LYS A 75 8.907 -0.950 12.494 0.09 0.00 H new ATOM 0 HE3 LYS A 75 8.602 -2.665 12.309 0.09 0.00 H new ATOM 0 HZ1 LYS A 75 10.391 -1.955 13.944 0.40 0.00 H new ATOM 0 HZ2 LYS A 75 10.793 -3.199 12.859 0.40 0.00 H new ATOM 0 HZ3 LYS A 75 11.361 -1.622 12.591 0.40 0.00 H new ATOM 1197 N MET A 76 8.929 -2.433 7.372 0.34 0.00 N ATOM 1198 CA MET A 76 9.476 -2.113 6.057 0.35 0.00 C ATOM 1199 C MET A 76 10.335 -0.854 6.111 0.09 0.00 C ATOM 1200 O MET A 76 10.272 -0.085 7.070 0.59 0.00 O ATOM 1201 CB MET A 76 8.346 -1.919 5.043 0.38 0.00 C ATOM 1202 CG MET A 76 7.466 -0.715 5.342 0.31 0.00 C ATOM 1203 SD MET A 76 6.270 -0.386 4.035 1.00 0.00 S ATOM 1204 CE MET A 76 5.524 1.129 4.633 0.13 0.00 C ATOM 0 H MET A 76 8.899 -1.646 8.020 0.34 0.00 H new ATOM 0 HA MET A 76 10.103 -2.949 5.745 0.35 0.00 H new ATOM 0 HB2 MET A 76 8.776 -1.807 4.048 0.38 0.00 H new ATOM 0 HB3 MET A 76 7.727 -2.816 5.024 0.38 0.00 H new ATOM 0 HG2 MET A 76 6.936 -0.881 6.280 0.31 0.00 H new ATOM 0 HG3 MET A 76 8.095 0.164 5.483 0.31 0.00 H new ATOM 0 HE1 MET A 76 5.195 1.731 3.786 0.13 0.00 H new ATOM 0 HE2 MET A 76 4.667 0.889 5.262 0.13 0.00 H new ATOM 0 HE3 MET A 76 6.255 1.690 5.215 0.13 0.00 H new ATOM 1214 N PHE A 77 11.140 -0.654 5.071 0.72 0.00 N ATOM 1215 CA PHE A 77 12.010 0.514 4.982 0.08 0.00 C ATOM 1216 C PHE A 77 11.959 1.112 3.579 0.39 0.00 C ATOM 1217 O PHE A 77 12.492 0.535 2.631 0.20 0.00 O ATOM 1218 CB PHE A 77 13.450 0.139 5.341 0.21 0.00 C ATOM 1219 CG PHE A 77 14.405 1.297 5.289 1.00 0.00 C ATOM 1220 CD1 PHE A 77 14.487 2.193 6.343 1.00 0.00 C ATOM 1221 CD2 PHE A 77 15.220 1.489 4.185 0.29 0.00 C ATOM 1222 CE1 PHE A 77 15.365 3.258 6.297 1.00 0.00 C ATOM 1223 CE2 PHE A 77 16.101 2.553 4.135 0.23 0.00 C ATOM 1224 CZ PHE A 77 16.173 3.439 5.192 0.10 0.00 C ATOM 0 H PHE A 77 11.208 -1.289 4.275 0.72 0.00 H new ATOM 0 HA PHE A 77 11.655 1.260 5.694 0.08 0.00 H new ATOM 0 HB2 PHE A 77 13.466 -0.289 6.343 0.21 0.00 H new ATOM 0 HB3 PHE A 77 13.795 -0.637 4.658 0.21 0.00 H new ATOM 0 HD1 PHE A 77 13.857 2.057 7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.166 0.800 3.355 0.29 0.00 H new ATOM 0 HE1 PHE A 77 15.420 3.949 7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 77 16.733 2.691 3.270 0.23 0.00 H new ATOM 0 HZ PHE A 77 16.860 4.272 5.154 0.10 0.00 H new ATOM 1234 N HIS A 78 11.317 2.269 3.455 0.18 0.00 N ATOM 1235 CA HIS A 78 11.195 2.939 2.165 1.00 0.00 C ATOM 1236 C HIS A 78 11.748 4.363 2.234 0.13 0.00 C ATOM 1237 O HIS A 78 11.850 4.941 3.316 0.29 0.00 O ATOM 1238 CB HIS A 78 9.732 2.961 1.717 0.49 0.00 C ATOM 1239 CG HIS A 78 9.231 1.630 1.247 0.11 0.00 C ATOM 1240 ND1 HIS A 78 8.662 0.688 2.075 0.24 0.00 N ATOM 1241 CD2 HIS A 78 9.227 1.087 0.004 0.14 0.00 C ATOM 1242 CE1 HIS A 78 8.336 -0.374 1.325 1.00 0.00 C ATOM 1243 NE2 HIS A 78 8.656 -0.181 0.061 1.00 0.00 N ATOM 0 H HIS A 78 10.874 2.762 4.230 0.18 0.00 H new ATOM 0 HA HIS A 78 11.781 2.381 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.112 3.302 2.546 0.49 0.00 H new ATOM 0 HB3 HIS A 78 9.617 3.688 0.913 0.49 0.00 H new ATOM 0 HD1 HIS A 78 8.515 0.782 3.080 0.24 0.00 H new ATOM 0 HD2 HIS A 78 9.607 1.563 -0.888 0.14 0.00 H new ATOM 0 HE1 HIS A 78 7.872 -1.271 1.707 1.00 0.00 H new ATOM 1251 N PRO A 79 12.113 4.947 1.074 1.00 0.00 N ATOM 1252 CA PRO A 79 12.660 6.307 1.012 0.08 0.00 C ATOM 1253 C PRO A 79 11.714 7.352 1.594 0.89 0.00 C ATOM 1254 O PRO A 79 12.132 8.465 1.916 0.32 0.00 O ATOM 1255 CB PRO A 79 12.863 6.551 -0.488 0.74 0.00 C ATOM 1256 CG PRO A 79 12.933 5.192 -1.091 1.00 0.00 C ATOM 1257 CD PRO A 79 12.026 4.330 -0.263 0.53 0.00 C ATOM 0 HA PRO A 79 13.573 6.395 1.600 0.08 0.00 H new ATOM 0 HB2 PRO A 79 12.040 7.128 -0.909 0.74 0.00 H new ATOM 0 HB3 PRO A 79 13.777 7.114 -0.677 0.74 0.00 H new ATOM 0 HG2 PRO A 79 12.612 5.209 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.954 4.811 -1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.005 4.335 -0.644 0.53 0.00 H new ATOM 0 HD3 PRO A 79 12.356 3.291 -0.251 0.53 0.00 H new ATOM 1265 N ASN A 80 10.438 6.997 1.724 0.31 0.00 N ATOM 1266 CA ASN A 80 9.448 7.922 2.268 0.18 0.00 C ATOM 1267 C ASN A 80 8.309 7.179 2.959 1.00 0.00 C ATOM 1268 O ASN A 80 7.594 6.394 2.337 1.00 0.00 O ATOM 1269 CB ASN A 80 8.892 8.812 1.155 0.72 0.00 C ATOM 1270 CG ASN A 80 8.382 8.014 -0.028 0.23 0.00 C ATOM 1271 OD1 ASN A 80 7.207 7.652 -0.089 0.48 0.00 O ATOM 1272 ND2 ASN A 80 9.268 7.735 -0.979 0.27 0.00 N ATOM 0 H ASN A 80 10.068 6.083 1.462 0.31 0.00 H new ATOM 0 HA ASN A 80 9.946 8.543 3.013 0.18 0.00 H new ATOM 0 HB2 ASN A 80 8.082 9.422 1.553 0.72 0.00 H new ATOM 0 HB3 ASN A 80 9.671 9.496 0.819 0.72 0.00 H new ATOM 0 HD21 ASN A 80 8.984 7.201 -1.800 0.27 0.00 H new ATOM 0 HD22 ASN A 80 10.232 8.055 -0.888 0.27 0.00 H new ATOM 1279 N VAL A 81 8.150 7.438 4.255 0.12 0.00 N ATOM 1280 CA VAL A 81 7.094 6.813 5.041 0.14 0.00 C ATOM 1281 C VAL A 81 6.724 7.688 6.239 1.00 0.00 C ATOM 1282 O VAL A 81 7.585 8.339 6.831 0.51 0.00 O ATOM 1283 CB VAL A 81 7.504 5.409 5.532 1.00 0.00 C ATOM 1284 CG1 VAL A 81 8.628 5.496 6.554 1.00 0.00 C ATOM 1285 CG2 VAL A 81 6.303 4.672 6.104 1.00 0.00 C ATOM 0 H VAL A 81 8.742 8.079 4.783 0.12 0.00 H new ATOM 0 HA VAL A 81 6.227 6.707 4.389 0.14 0.00 H new ATOM 0 HB VAL A 81 7.875 4.844 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.898 4.493 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.496 5.975 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.296 6.083 7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.611 3.684 6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.897 5.235 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.539 4.568 5.333 1.00 0.00 H new ATOM 1295 N TYR A 82 5.442 7.703 6.587 0.55 0.00 N ATOM 1296 CA TYR A 82 4.966 8.503 7.712 0.13 0.00 C ATOM 1297 C TYR A 82 5.278 7.827 9.044 1.00 0.00 C ATOM 1298 O TYR A 82 5.622 6.645 9.087 0.15 0.00 O ATOM 1299 CB TYR A 82 3.461 8.752 7.587 0.38 0.00 C ATOM 1300 CG TYR A 82 3.101 9.751 6.514 1.00 0.00 C ATOM 1301 CD1 TYR A 82 3.080 9.386 5.173 0.34 0.00 C ATOM 1302 CD2 TYR A 82 2.783 11.063 6.840 0.08 0.00 C ATOM 1303 CE1 TYR A 82 2.753 10.299 4.189 0.67 0.00 C ATOM 1304 CE2 TYR A 82 2.453 11.983 5.862 0.31 0.00 C ATOM 1305 CZ TYR A 82 2.439 11.595 4.540 0.53 0.00 C ATOM 1306 OH TYR A 82 2.112 12.507 3.562 0.26 0.00 O ATOM 0 H TYR A 82 4.714 7.172 6.108 0.55 0.00 H new ATOM 0 HA TYR A 82 5.489 9.459 7.688 0.13 0.00 H new ATOM 0 HB2 TYR A 82 2.961 7.807 7.374 0.38 0.00 H new ATOM 0 HB3 TYR A 82 3.079 9.106 8.544 0.38 0.00 H new ATOM 0 HD1 TYR A 82 3.324 8.371 4.895 0.34 0.00 H new ATOM 0 HD2 TYR A 82 2.794 11.370 7.875 0.08 0.00 H new ATOM 0 HE1 TYR A 82 2.743 10.000 3.151 0.67 0.00 H new ATOM 0 HE2 TYR A 82 2.208 12.999 6.133 0.31 0.00 H new ATOM 0 HH TYR A 82 1.916 13.374 3.975 0.26 0.00 H new ATOM 1316 N ALA A 83 5.153 8.587 10.130 0.06 0.00 N ATOM 1317 CA ALA A 83 5.424 8.071 11.467 0.06 0.00 C ATOM 1318 C ALA A 83 4.458 6.950 11.836 1.00 0.00 C ATOM 1319 O ALA A 83 4.835 5.992 12.511 0.06 0.00 O ATOM 1320 CB ALA A 83 5.348 9.194 12.492 0.37 0.00 C ATOM 0 H ALA A 83 4.865 9.565 10.108 0.06 0.00 H new ATOM 0 HA ALA A 83 6.432 7.657 11.469 0.06 0.00 H new ATOM 0 HB1 ALA A 83 5.552 8.794 13.485 0.37 0.00 H new ATOM 0 HB2 ALA A 83 6.086 9.959 12.249 0.37 0.00 H new ATOM 0 HB3 ALA A 83 4.351 9.634 12.476 0.37 0.00 H new ATOM 1326 N ASP A 84 3.214 7.075 11.388 0.23 0.00 N ATOM 1327 CA ASP A 84 2.195 6.072 11.673 0.14 0.00 C ATOM 1328 C ASP A 84 2.368 4.851 10.777 0.35 0.00 C ATOM 1329 O ASP A 84 1.631 3.871 10.893 0.48 0.00 O ATOM 1330 CB ASP A 84 0.799 6.665 11.481 1.00 0.00 C ATOM 1331 CG ASP A 84 0.536 7.833 12.412 0.29 0.00 C ATOM 1332 OD1 ASP A 84 0.035 7.599 13.532 0.47 0.00 O ATOM 1333 OD2 ASP A 84 0.830 8.981 12.020 1.00 0.00 O ATOM 0 H ASP A 84 2.887 7.861 10.826 0.23 0.00 H new ATOM 0 HA ASP A 84 2.310 5.758 12.711 0.14 0.00 H new ATOM 0 HB2 ASP A 84 0.686 6.994 10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.051 5.891 11.653 1.00 0.00 H new ATOM 1338 N GLY A 85 3.346 4.918 9.879 0.08 0.00 N ATOM 1339 CA GLY A 85 3.603 3.813 8.974 0.12 0.00 C ATOM 1340 C GLY A 85 2.860 3.950 7.660 1.00 0.00 C ATOM 1341 O GLY A 85 3.057 3.150 6.744 0.84 0.00 O ATOM 0 H GLY A 85 3.966 5.719 9.762 0.08 0.00 H new ATOM 0 HA2 GLY A 85 4.673 3.751 8.777 0.12 0.00 H new ATOM 0 HA3 GLY A 85 3.313 2.879 9.455 0.12 0.00 H new ATOM 1345 N SER A 86 2.004 4.962 7.566 0.44 0.00 N ATOM 1346 CA SER A 86 1.232 5.199 6.351 0.10 0.00 C ATOM 1347 C SER A 86 2.154 5.479 5.170 0.07 0.00 C ATOM 1348 O SER A 86 3.244 6.024 5.338 1.00 0.00 O ATOM 1349 CB SER A 86 0.270 6.370 6.552 1.00 0.00 C ATOM 1350 OG SER A 86 -0.486 6.615 5.379 0.21 0.00 O ATOM 0 H SER A 86 1.827 5.631 8.316 0.44 0.00 H new ATOM 0 HA SER A 86 0.655 4.300 6.135 0.10 0.00 H new ATOM 0 HB2 SER A 86 -0.402 6.155 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.832 7.265 6.820 1.00 0.00 H new ATOM 0 HG SER A 86 -1.095 7.367 5.533 0.21 0.00 H new ATOM 1356 N ILE A 87 1.707 5.103 3.975 0.06 0.00 N ATOM 1357 CA ILE A 87 2.497 5.311 2.767 1.00 0.00 C ATOM 1358 C ILE A 87 2.155 6.646 2.116 1.00 0.00 C ATOM 1359 O ILE A 87 1.006 7.086 2.142 0.15 0.00 O ATOM 1360 CB ILE A 87 2.279 4.177 1.743 0.07 0.00 C ATOM 1361 CG1 ILE A 87 2.447 2.807 2.405 0.10 0.00 C ATOM 1362 CG2 ILE A 87 3.244 4.321 0.577 0.76 0.00 C ATOM 1363 CD1 ILE A 87 1.206 2.313 3.114 1.00 0.00 C ATOM 0 H ILE A 87 0.805 4.654 3.818 0.06 0.00 H new ATOM 0 HA ILE A 87 3.544 5.313 3.070 1.00 0.00 H new ATOM 0 HB ILE A 87 1.260 4.252 1.364 0.07 0.00 H new ATOM 0 HG12 ILE A 87 2.733 2.080 1.645 0.10 0.00 H new ATOM 0 HG13 ILE A 87 3.267 2.859 3.122 0.10 0.00 H new ATOM 0 HG21 ILE A 87 3.077 3.513 -0.136 0.76 0.00 H new ATOM 0 HG22 ILE A 87 3.079 5.279 0.085 0.76 0.00 H new ATOM 0 HG23 ILE A 87 4.269 4.274 0.945 0.76 0.00 H new ATOM 0 HD11 ILE A 87 1.404 1.337 3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.930 3.018 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.388 2.227 2.399 1.00 0.00 H new ATOM 1375 N CYS A 88 3.163 7.288 1.531 0.33 0.00 N ATOM 1376 CA CYS A 88 2.971 8.575 0.870 1.00 0.00 C ATOM 1377 C CYS A 88 2.575 8.386 -0.590 0.11 0.00 C ATOM 1378 O CYS A 88 3.365 7.908 -1.402 0.13 0.00 O ATOM 1379 CB CYS A 88 4.251 9.410 0.957 0.59 0.00 C ATOM 1380 SG CYS A 88 4.123 11.036 0.178 1.00 0.00 S ATOM 0 H CYS A 88 4.121 6.938 1.501 0.33 0.00 H new ATOM 0 HA CYS A 88 2.164 9.100 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.516 9.541 2.006 0.59 0.00 H new ATOM 0 HB3 CYS A 88 5.066 8.857 0.489 0.59 0.00 H new ATOM 0 HG CYS A 88 5.252 11.668 0.304 1.00 0.00 H new ATOM 1386 N LEU A 89 1.342 8.766 -0.916 0.14 0.00 N ATOM 1387 CA LEU A 89 0.837 8.640 -2.278 1.00 0.00 C ATOM 1388 C LEU A 89 0.439 9.998 -2.844 0.45 0.00 C ATOM 1389 O LEU A 89 0.223 10.956 -2.099 0.15 0.00 O ATOM 1390 CB LEU A 89 -0.370 7.699 -2.316 1.00 0.00 C ATOM 1391 CG LEU A 89 -0.040 6.217 -2.500 0.11 0.00 C ATOM 1392 CD1 LEU A 89 0.685 5.668 -1.283 0.14 0.00 C ATOM 1393 CD2 LEU A 89 -1.311 5.425 -2.769 0.06 0.00 C ATOM 0 H LEU A 89 0.675 9.164 -0.255 0.14 0.00 H new ATOM 0 HA LEU A 89 1.638 8.227 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.931 7.817 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.027 8.011 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 89 0.623 6.116 -3.360 0.11 0.00 H new ATOM 0 HD11 LEU A 89 0.909 4.613 -1.438 0.14 0.00 H new ATOM 0 HD12 LEU A 89 1.614 6.218 -1.134 0.14 0.00 H new ATOM 0 HD13 LEU A 89 0.053 5.779 -0.402 0.14 0.00 H new ATOM 0 HD21 LEU A 89 -1.063 4.372 -2.898 0.06 0.00 H new ATOM 0 HD22 LEU A 89 -1.994 5.536 -1.927 0.06 0.00 H new ATOM 0 HD23 LEU A 89 -1.788 5.799 -3.675 0.06 0.00 H new ATOM 1405 N ASP A 90 0.347 10.075 -4.166 0.43 0.00 N ATOM 1406 CA ASP A 90 -0.037 11.308 -4.837 1.00 0.00 C ATOM 1407 C ASP A 90 -1.536 11.308 -5.117 0.19 0.00 C ATOM 1408 O ASP A 90 -2.129 12.349 -5.399 0.06 0.00 O ATOM 1409 CB ASP A 90 0.744 11.473 -6.142 0.06 0.00 C ATOM 1410 CG ASP A 90 0.505 10.330 -7.110 0.14 0.00 C ATOM 1411 OD1 ASP A 90 -0.444 10.424 -7.916 1.00 0.00 O ATOM 1412 OD2 ASP A 90 1.269 9.343 -7.063 0.05 0.00 O ATOM 0 H ASP A 90 0.534 9.294 -4.795 0.43 0.00 H new ATOM 0 HA ASP A 90 0.200 12.148 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.459 12.412 -6.616 0.06 0.00 H new ATOM 0 HB3 ASP A 90 1.809 11.539 -5.919 0.06 0.00 H new ATOM 1417 N ILE A 91 -2.137 10.124 -5.039 0.16 0.00 N ATOM 1418 CA ILE A 91 -3.568 9.972 -5.275 1.00 0.00 C ATOM 1419 C ILE A 91 -4.381 10.524 -4.107 0.39 0.00 C ATOM 1420 O ILE A 91 -5.465 11.076 -4.301 0.26 0.00 O ATOM 1421 CB ILE A 91 -3.943 8.491 -5.503 1.00 0.00 C ATOM 1422 CG1 ILE A 91 -5.457 8.346 -5.684 0.41 0.00 C ATOM 1423 CG2 ILE A 91 -3.459 7.636 -4.343 0.08 0.00 C ATOM 1424 CD1 ILE A 91 -5.894 6.945 -6.055 0.41 0.00 C ATOM 0 H ILE A 91 -1.653 9.255 -4.814 0.16 0.00 H new ATOM 0 HA ILE A 91 -3.806 10.541 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.452 8.145 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.954 8.639 -4.759 0.41 0.00 H new ATOM 0 HG13 ILE A 91 -5.789 9.038 -6.458 0.41 0.00 H new ATOM 0 HG21 ILE A 91 -3.731 6.595 -4.520 0.08 0.00 H new ATOM 0 HG22 ILE A 91 -2.375 7.718 -4.258 0.08 0.00 H new ATOM 0 HG23 ILE A 91 -3.923 7.981 -3.419 0.08 0.00 H new ATOM 0 HD11 ILE A 91 -6.978 6.919 -6.166 0.41 0.00 H new ATOM 0 HD12 ILE A 91 -5.426 6.655 -6.996 0.41 0.00 H new ATOM 0 HD13 ILE A 91 -5.593 6.250 -5.271 0.41 0.00 H new ATOM 1436 N LEU A 92 -3.850 10.377 -2.894 0.14 0.00 N ATOM 1437 CA LEU A 92 -4.530 10.857 -1.692 0.57 0.00 C ATOM 1438 C LEU A 92 -4.719 12.371 -1.733 0.18 0.00 C ATOM 1439 O LEU A 92 -5.431 12.940 -0.905 0.22 0.00 O ATOM 1440 CB LEU A 92 -3.742 10.466 -0.441 0.29 0.00 C ATOM 1441 CG LEU A 92 -3.532 8.961 -0.249 0.26 0.00 C ATOM 1442 CD1 LEU A 92 -2.648 8.698 0.960 0.35 0.00 C ATOM 1443 CD2 LEU A 92 -4.869 8.248 -0.096 0.18 0.00 C ATOM 0 H LEU A 92 -2.951 9.929 -2.718 0.14 0.00 H new ATOM 0 HA LEU A 92 -5.514 10.389 -1.656 0.57 0.00 H new ATOM 0 HB2 LEU A 92 -2.767 10.951 -0.479 0.29 0.00 H new ATOM 0 HB3 LEU A 92 -4.260 10.859 0.434 0.29 0.00 H new ATOM 0 HG LEU A 92 -3.033 8.568 -1.135 0.26 0.00 H new ATOM 0 HD11 LEU A 92 -2.509 7.624 1.082 0.35 0.00 H new ATOM 0 HD12 LEU A 92 -1.679 9.175 0.813 0.35 0.00 H new ATOM 0 HD13 LEU A 92 -3.122 9.106 1.853 0.35 0.00 H new ATOM 0 HD21 LEU A 92 -4.698 7.180 0.039 0.18 0.00 H new ATOM 0 HD22 LEU A 92 -5.395 8.644 0.772 0.18 0.00 H new ATOM 0 HD23 LEU A 92 -5.471 8.409 -0.990 0.18 0.00 H new ATOM 1455 N GLN A 93 -4.076 13.017 -2.700 1.00 0.00 N ATOM 1456 CA GLN A 93 -4.173 14.463 -2.849 1.00 0.00 C ATOM 1457 C GLN A 93 -5.502 14.854 -3.495 0.70 0.00 C ATOM 1458 O GLN A 93 -6.434 14.052 -3.550 0.10 0.00 O ATOM 1459 CB GLN A 93 -3.008 14.986 -3.692 0.52 0.00 C ATOM 1460 CG GLN A 93 -1.642 14.706 -3.087 1.00 0.00 C ATOM 1461 CD GLN A 93 -1.466 15.343 -1.722 0.06 0.00 C ATOM 1462 OE1 GLN A 93 -1.038 16.492 -1.612 0.08 0.00 O ATOM 1463 NE2 GLN A 93 -1.793 14.597 -0.673 0.16 0.00 N ATOM 0 H GLN A 93 -3.482 12.561 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.126 14.913 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.056 14.534 -4.683 0.52 0.00 H new ATOM 0 HB3 GLN A 93 -3.122 16.062 -3.826 0.52 0.00 H new ATOM 0 HG2 GLN A 93 -1.501 13.629 -3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.868 15.077 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.144 13.649 -0.811 0.16 0.00 H new ATOM 0 HE22 GLN A 93 -1.693 14.972 0.270 0.16 0.00 H new ATOM 1472 N ASN A 94 -5.578 16.090 -3.981 1.00 0.00 N ATOM 1473 CA ASN A 94 -6.789 16.589 -4.624 0.49 0.00 C ATOM 1474 C ASN A 94 -7.111 15.795 -5.890 0.13 0.00 C ATOM 1475 O ASN A 94 -8.206 15.909 -6.441 0.41 0.00 O ATOM 1476 CB ASN A 94 -6.636 18.073 -4.966 0.05 0.00 C ATOM 1477 CG ASN A 94 -5.364 18.361 -5.736 0.06 0.00 C ATOM 1478 OD1 ASN A 94 -5.341 18.305 -6.967 0.06 0.00 O ATOM 1479 ND2 ASN A 94 -4.292 18.671 -5.015 0.25 0.00 N ATOM 0 H ASN A 94 -4.814 16.765 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.614 16.465 -3.923 0.49 0.00 H new ATOM 0 HB2 ASN A 94 -7.495 18.398 -5.554 0.05 0.00 H new ATOM 0 HB3 ASN A 94 -6.640 18.657 -4.046 0.05 0.00 H new ATOM 0 HD21 ASN A 94 -3.407 18.874 -5.479 0.25 0.00 H new ATOM 0 HD22 ASN A 94 -4.354 18.706 -3.998 0.25 0.00 H new ATOM 1486 N ARG A 95 -6.151 14.994 -6.347 0.48 0.00 N ATOM 1487 CA ARG A 95 -6.339 14.187 -7.547 1.00 0.00 C ATOM 1488 C ARG A 95 -7.241 12.990 -7.261 1.00 0.00 C ATOM 1489 O ARG A 95 -7.569 12.217 -8.161 1.00 0.00 O ATOM 1490 CB ARG A 95 -4.987 13.710 -8.081 0.13 0.00 C ATOM 1491 CG ARG A 95 -4.055 14.844 -8.479 0.06 0.00 C ATOM 1492 CD ARG A 95 -4.581 15.604 -9.687 1.00 0.00 C ATOM 1493 NE ARG A 95 -3.718 16.727 -10.046 0.07 0.00 N ATOM 1494 CZ ARG A 95 -3.934 17.520 -11.092 0.20 0.00 C ATOM 1495 NH1 ARG A 95 -4.978 17.313 -11.883 0.51 0.00 N ATOM 1496 NH2 ARG A 95 -3.106 18.522 -11.348 0.20 0.00 N ATOM 0 H ARG A 95 -5.238 14.888 -5.905 0.48 0.00 H new ATOM 0 HA ARG A 95 -6.821 14.807 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -4.500 13.101 -7.320 0.13 0.00 H new ATOM 0 HB3 ARG A 95 -5.153 13.067 -8.945 0.13 0.00 H new ATOM 0 HG2 ARG A 95 -3.937 15.530 -7.640 0.06 0.00 H new ATOM 0 HG3 ARG A 95 -3.067 14.442 -8.703 0.06 0.00 H new ATOM 0 HD2 ARG A 95 -4.663 14.924 -10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.585 15.972 -9.475 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.903 16.914 -9.461 0.07 0.00 H new ATOM 0 HH11 ARG A 95 -5.619 16.543 -11.690 0.51 0.00 H new ATOM 0 HH12 ARG A 95 -5.140 17.923 -12.684 0.51 0.00 H new ATOM 0 HH21 ARG A 95 -2.302 18.686 -10.743 0.20 0.00 H new ATOM 0 HH22 ARG A 95 -3.273 19.129 -12.150 0.20 0.00 H new ATOM 1510 N TRP A 96 -7.634 12.844 -6.000 0.29 0.00 N ATOM 1511 CA TRP A 96 -8.501 11.746 -5.587 0.06 0.00 C ATOM 1512 C TRP A 96 -9.918 11.933 -6.122 0.06 0.00 C ATOM 1513 O TRP A 96 -10.399 13.058 -6.258 1.00 0.00 O ATOM 1514 CB TRP A 96 -8.528 11.637 -4.059 1.00 0.00 C ATOM 1515 CG TRP A 96 -9.638 10.771 -3.540 0.85 0.00 C ATOM 1516 CD1 TRP A 96 -10.736 11.180 -2.838 0.90 0.00 C ATOM 1517 CD2 TRP A 96 -9.763 9.350 -3.689 1.00 0.00 C ATOM 1518 NE1 TRP A 96 -11.534 10.102 -2.538 0.07 0.00 N ATOM 1519 CE2 TRP A 96 -10.959 8.968 -3.049 0.38 0.00 C ATOM 1520 CE3 TRP A 96 -8.981 8.365 -4.298 0.16 0.00 C ATOM 1521 CZ2 TRP A 96 -11.388 7.644 -3.005 0.17 0.00 C ATOM 1522 CZ3 TRP A 96 -9.409 7.051 -4.254 0.52 0.00 C ATOM 1523 CH2 TRP A 96 -10.604 6.702 -3.610 0.31 0.00 C ATOM 0 H TRP A 96 -7.365 13.474 -5.244 0.29 0.00 H new ATOM 0 HA TRP A 96 -8.097 10.823 -6.004 0.06 0.00 H new ATOM 0 HB2 TRP A 96 -7.574 11.237 -3.714 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -8.627 12.635 -3.633 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -10.946 12.202 -2.559 0.90 0.00 H new ATOM 0 HE1 TRP A 96 -12.411 10.140 -2.019 0.07 0.00 H new ATOM 0 HE3 TRP A 96 -8.058 8.626 -4.795 0.16 0.00 H new ATOM 0 HZ2 TRP A 96 -12.308 7.371 -2.510 0.17 0.00 H new ATOM 0 HZ3 TRP A 96 -8.813 6.282 -4.723 0.52 0.00 H new ATOM 0 HH2 TRP A 96 -10.912 5.667 -3.591 0.31 0.00 H new ATOM 1534 N SER A 97 -10.578 10.820 -6.423 0.35 0.00 N ATOM 1535 CA SER A 97 -11.942 10.849 -6.930 0.32 0.00 C ATOM 1536 C SER A 97 -12.741 9.663 -6.387 0.14 0.00 C ATOM 1537 O SER A 97 -12.196 8.572 -6.220 0.09 0.00 O ATOM 1538 CB SER A 97 -11.948 10.825 -8.460 0.15 0.00 C ATOM 1539 OG SER A 97 -11.289 11.962 -8.991 0.11 0.00 O ATOM 0 H SER A 97 -10.187 9.883 -6.323 0.35 0.00 H new ATOM 0 HA SER A 97 -12.410 11.773 -6.592 0.32 0.00 H new ATOM 0 HB2 SER A 97 -11.458 9.918 -8.814 0.15 0.00 H new ATOM 0 HB3 SER A 97 -12.976 10.794 -8.822 0.15 0.00 H new ATOM 0 HG SER A 97 -11.305 11.922 -9.970 0.11 0.00 H new ATOM 1545 N PRO A 98 -14.043 9.858 -6.101 0.69 0.00 N ATOM 1546 CA PRO A 98 -14.902 8.791 -5.574 1.00 0.00 C ATOM 1547 C PRO A 98 -15.057 7.632 -6.555 0.30 0.00 C ATOM 1548 O PRO A 98 -15.624 6.594 -6.217 0.16 0.00 O ATOM 1549 CB PRO A 98 -16.255 9.478 -5.353 0.47 0.00 C ATOM 1550 CG PRO A 98 -15.964 10.940 -5.358 1.00 0.00 C ATOM 1551 CD PRO A 98 -14.780 11.123 -6.261 0.14 0.00 C ATOM 0 HA PRO A 98 -14.481 8.352 -4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -16.962 9.216 -6.140 0.47 0.00 H new ATOM 0 HB3 PRO A 98 -16.702 9.170 -4.408 0.47 0.00 H new ATOM 0 HG2 PRO A 98 -16.822 11.507 -5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -15.746 11.298 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -15.083 11.286 -7.295 0.14 0.00 H new ATOM 0 HD3 PRO A 98 -14.177 11.982 -5.967 0.14 0.00 H new ATOM 1559 N THR A 99 -14.545 7.818 -7.769 0.45 0.00 N ATOM 1560 CA THR A 99 -14.635 6.792 -8.803 1.00 0.00 C ATOM 1561 C THR A 99 -13.631 5.665 -8.565 0.86 0.00 C ATOM 1562 O THR A 99 -13.966 4.488 -8.704 0.08 0.00 O ATOM 1563 CB THR A 99 -14.398 7.387 -10.204 0.44 0.00 C ATOM 1564 OG1 THR A 99 -15.303 8.472 -10.434 0.24 0.00 O ATOM 1565 CG2 THR A 99 -14.588 6.329 -11.282 0.26 0.00 C ATOM 0 H THR A 99 -14.064 8.669 -8.060 0.45 0.00 H new ATOM 0 HA THR A 99 -15.645 6.385 -8.751 1.00 0.00 H new ATOM 0 HB THR A 99 -13.372 7.751 -10.250 0.44 0.00 H new ATOM 0 HG1 THR A 99 -15.145 8.846 -11.326 0.24 0.00 H new ATOM 0 HG21 THR A 99 -14.415 6.773 -12.262 0.26 0.00 H new ATOM 0 HG22 THR A 99 -13.880 5.516 -11.122 0.26 0.00 H new ATOM 0 HG23 THR A 99 -15.605 5.939 -11.234 0.26 0.00 H new ATOM 1573 N TYR A 100 -12.402 6.032 -8.210 0.67 0.00 N ATOM 1574 CA TYR A 100 -11.354 5.048 -7.959 0.67 0.00 C ATOM 1575 C TYR A 100 -11.789 4.042 -6.898 0.07 0.00 C ATOM 1576 O TYR A 100 -12.349 4.415 -5.867 0.09 0.00 O ATOM 1577 CB TYR A 100 -10.062 5.742 -7.522 0.72 0.00 C ATOM 1578 CG TYR A 100 -9.443 6.605 -8.597 0.44 0.00 C ATOM 1579 CD1 TYR A 100 -9.858 7.917 -8.787 0.58 0.00 C ATOM 1580 CD2 TYR A 100 -8.443 6.109 -9.425 1.00 0.00 C ATOM 1581 CE1 TYR A 100 -9.295 8.710 -9.771 0.39 0.00 C ATOM 1582 CE2 TYR A 100 -7.876 6.896 -10.410 0.21 0.00 C ATOM 1583 CZ TYR A 100 -8.304 8.194 -10.579 0.64 0.00 C ATOM 1584 OH TYR A 100 -7.743 8.980 -11.559 0.09 0.00 O ATOM 0 H TYR A 100 -12.109 7.001 -8.090 0.67 0.00 H new ATOM 0 HA TYR A 100 -11.171 4.510 -8.889 0.67 0.00 H new ATOM 0 HB2 TYR A 100 -10.269 6.359 -6.648 0.72 0.00 H new ATOM 0 HB3 TYR A 100 -9.340 4.986 -7.215 0.72 0.00 H new ATOM 0 HD1 TYR A 100 -10.633 8.325 -8.156 0.58 0.00 H new ATOM 0 HD2 TYR A 100 -8.103 5.092 -9.297 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.630 9.728 -9.906 0.39 0.00 H new ATOM 0 HE2 TYR A 100 -7.100 6.494 -11.045 0.21 0.00 H new ATOM 0 HH TYR A 100 -7.059 8.467 -12.038 0.09 0.00 H new ATOM 1594 N ASP A 101 -11.525 2.766 -7.161 1.00 0.00 N ATOM 1595 CA ASP A 101 -11.893 1.698 -6.237 0.41 0.00 C ATOM 1596 C ASP A 101 -10.691 1.256 -5.405 0.43 0.00 C ATOM 1597 O ASP A 101 -9.617 1.854 -5.479 0.25 0.00 O ATOM 1598 CB ASP A 101 -12.459 0.505 -7.008 1.00 0.00 C ATOM 1599 CG ASP A 101 -13.607 0.896 -7.919 1.00 0.00 C ATOM 1600 OD1 ASP A 101 -13.344 1.248 -9.088 0.12 0.00 O ATOM 1601 OD2 ASP A 101 -14.769 0.849 -7.464 0.27 0.00 O ATOM 0 H ASP A 101 -11.056 2.446 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 101 -12.656 2.083 -5.561 0.41 0.00 H new ATOM 0 HB2 ASP A 101 -11.666 0.051 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.801 -0.251 -6.302 1.00 0.00 H new ATOM 1606 N VAL A 102 -10.884 0.205 -4.613 0.49 0.00 N ATOM 1607 CA VAL A 102 -9.822 -0.326 -3.765 0.10 0.00 C ATOM 1608 C VAL A 102 -8.634 -0.797 -4.603 0.18 0.00 C ATOM 1609 O VAL A 102 -7.515 -0.904 -4.108 0.11 0.00 O ATOM 1610 CB VAL A 102 -10.329 -1.493 -2.896 1.00 0.00 C ATOM 1611 CG1 VAL A 102 -10.735 -2.674 -3.763 0.51 0.00 C ATOM 1612 CG2 VAL A 102 -9.278 -1.907 -1.876 0.37 0.00 C ATOM 0 H VAL A 102 -11.769 -0.297 -4.541 0.49 0.00 H new ATOM 0 HA VAL A 102 -9.499 0.485 -3.112 0.10 0.00 H new ATOM 0 HB VAL A 102 -11.210 -1.152 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.090 -3.486 -3.129 0.51 0.00 H new ATOM 0 HG12 VAL A 102 -11.531 -2.370 -4.442 0.51 0.00 H new ATOM 0 HG13 VAL A 102 -9.875 -3.014 -4.341 0.51 0.00 H new ATOM 0 HG21 VAL A 102 -9.660 -2.732 -1.275 0.37 0.00 H new ATOM 0 HG22 VAL A 102 -8.373 -2.224 -2.394 0.37 0.00 H new ATOM 0 HG23 VAL A 102 -9.048 -1.062 -1.227 0.37 0.00 H new ATOM 1622 N SER A 103 -8.888 -1.089 -5.873 0.36 0.00 N ATOM 1623 CA SER A 103 -7.834 -1.541 -6.772 0.36 0.00 C ATOM 1624 C SER A 103 -6.828 -0.423 -7.031 0.83 0.00 C ATOM 1625 O SER A 103 -5.640 -0.677 -7.234 0.09 0.00 O ATOM 1626 CB SER A 103 -8.431 -2.023 -8.094 0.06 0.00 C ATOM 1627 OG SER A 103 -9.347 -3.082 -7.886 1.00 0.00 O ATOM 0 H SER A 103 -9.811 -1.021 -6.302 0.36 0.00 H new ATOM 0 HA SER A 103 -7.315 -2.372 -6.295 0.36 0.00 H new ATOM 0 HB2 SER A 103 -8.935 -1.195 -8.592 0.06 0.00 H new ATOM 0 HB3 SER A 103 -7.632 -2.355 -8.757 0.06 0.00 H new ATOM 0 HG SER A 103 -9.715 -3.370 -8.747 1.00 0.00 H new ATOM 1633 N SER A 104 -7.314 0.815 -7.022 0.11 0.00 N ATOM 1634 CA SER A 104 -6.466 1.978 -7.268 0.21 0.00 C ATOM 1635 C SER A 104 -5.351 2.095 -6.231 0.11 0.00 C ATOM 1636 O SER A 104 -4.180 2.216 -6.584 1.00 0.00 O ATOM 1637 CB SER A 104 -7.308 3.254 -7.269 0.17 0.00 C ATOM 1638 OG SER A 104 -6.514 4.390 -7.563 0.54 0.00 O ATOM 0 H SER A 104 -8.293 1.039 -6.847 0.11 0.00 H new ATOM 0 HA SER A 104 -6.003 1.845 -8.246 0.21 0.00 H new ATOM 0 HB2 SER A 104 -8.107 3.165 -8.005 0.17 0.00 H new ATOM 0 HB3 SER A 104 -7.783 3.381 -6.296 0.17 0.00 H new ATOM 0 HG SER A 104 -7.065 5.069 -8.006 0.54 0.00 H new ATOM 1644 N ILE A 105 -5.718 2.059 -4.951 0.10 0.00 N ATOM 1645 CA ILE A 105 -4.738 2.175 -3.872 0.55 0.00 C ATOM 1646 C ILE A 105 -3.716 1.042 -3.920 1.00 0.00 C ATOM 1647 O ILE A 105 -2.526 1.260 -3.693 0.12 0.00 O ATOM 1648 CB ILE A 105 -5.422 2.198 -2.484 0.28 0.00 C ATOM 1649 CG1 ILE A 105 -4.389 2.059 -1.359 0.21 0.00 C ATOM 1650 CG2 ILE A 105 -6.465 1.098 -2.382 0.07 0.00 C ATOM 1651 CD1 ILE A 105 -3.352 3.160 -1.343 1.00 0.00 C ATOM 0 H ILE A 105 -6.682 1.951 -4.636 0.10 0.00 H new ATOM 0 HA ILE A 105 -4.219 3.121 -4.022 0.55 0.00 H new ATOM 0 HB ILE A 105 -5.920 3.161 -2.372 0.28 0.00 H new ATOM 0 HG12 ILE A 105 -4.908 2.048 -0.401 0.21 0.00 H new ATOM 0 HG13 ILE A 105 -3.884 1.098 -1.459 0.21 0.00 H new ATOM 0 HG21 ILE A 105 -6.934 1.131 -1.399 0.07 0.00 H new ATOM 0 HG22 ILE A 105 -7.224 1.243 -3.151 0.07 0.00 H new ATOM 0 HG23 ILE A 105 -5.987 0.129 -2.523 0.07 0.00 H new ATOM 0 HD11 ILE A 105 -2.657 2.993 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.805 3.159 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.846 4.123 -1.211 1.00 0.00 H new ATOM 1663 N LEU A 106 -4.181 -0.165 -4.218 0.23 0.00 N ATOM 1664 CA LEU A 106 -3.297 -1.323 -4.294 0.48 0.00 C ATOM 1665 C LEU A 106 -2.270 -1.162 -5.413 0.57 0.00 C ATOM 1666 O LEU A 106 -1.088 -1.453 -5.229 0.12 0.00 O ATOM 1667 CB LEU A 106 -4.112 -2.604 -4.507 0.06 0.00 C ATOM 1668 CG LEU A 106 -4.526 -3.344 -3.228 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -3.303 -3.854 -2.482 0.53 0.00 C ATOM 1670 CD2 LEU A 106 -5.360 -2.447 -2.328 1.00 0.00 C ATOM 0 H LEU A 106 -5.162 -0.368 -4.411 0.23 0.00 H new ATOM 0 HA LEU A 106 -2.760 -1.396 -3.348 0.48 0.00 H new ATOM 0 HB2 LEU A 106 -5.012 -2.352 -5.068 0.06 0.00 H new ATOM 0 HB3 LEU A 106 -3.530 -3.285 -5.128 0.06 0.00 H new ATOM 0 HG LEU A 106 -5.136 -4.200 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.619 -4.375 -1.579 0.53 0.00 H new ATOM 0 HD12 LEU A 106 -2.747 -4.540 -3.121 0.53 0.00 H new ATOM 0 HD13 LEU A 106 -2.665 -3.013 -2.211 0.53 0.00 H new ATOM 0 HD21 LEU A 106 -5.641 -2.994 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.778 -1.568 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.260 -2.135 -2.858 1.00 0.00 H new ATOM 1682 N THR A 107 -2.729 -0.697 -6.572 0.64 0.00 N ATOM 1683 CA THR A 107 -1.850 -0.503 -7.723 0.28 0.00 C ATOM 1684 C THR A 107 -0.960 0.726 -7.549 0.52 0.00 C ATOM 1685 O THR A 107 0.141 0.784 -8.099 0.11 0.00 O ATOM 1686 CB THR A 107 -2.658 -0.355 -9.024 1.00 0.00 C ATOM 1687 OG1 THR A 107 -3.595 0.722 -8.900 0.28 0.00 O ATOM 1688 CG2 THR A 107 -3.400 -1.642 -9.351 0.08 0.00 C ATOM 0 H THR A 107 -3.704 -0.448 -6.740 0.64 0.00 H new ATOM 0 HA THR A 107 -1.221 -1.391 -7.788 0.28 0.00 H new ATOM 0 HB THR A 107 -1.961 -0.140 -9.834 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.568 1.075 -7.986 0.28 0.00 H new ATOM 0 HG21 THR A 107 -3.964 -1.512 -10.275 0.08 0.00 H new ATOM 0 HG22 THR A 107 -2.683 -2.454 -9.474 0.08 0.00 H new ATOM 0 HG23 THR A 107 -4.085 -1.883 -8.539 0.08 0.00 H new ATOM 1696 N SER A 108 -1.439 1.703 -6.786 0.08 0.00 N ATOM 1697 CA SER A 108 -0.683 2.930 -6.551 1.00 0.00 C ATOM 1698 C SER A 108 0.554 2.660 -5.699 0.05 0.00 C ATOM 1699 O SER A 108 1.655 3.097 -6.032 0.07 0.00 O ATOM 1700 CB SER A 108 -1.567 3.978 -5.871 1.00 0.00 C ATOM 1701 OG SER A 108 -2.659 4.339 -6.698 1.00 0.00 O ATOM 0 H SER A 108 -2.346 1.670 -6.320 0.08 0.00 H new ATOM 0 HA SER A 108 -0.356 3.312 -7.518 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.938 3.586 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.974 4.863 -5.639 1.00 0.00 H new ATOM 0 HG SER A 108 -3.185 3.541 -6.912 1.00 0.00 H new ATOM 1707 N ILE A 109 0.366 1.938 -4.598 0.22 0.00 N ATOM 1708 CA ILE A 109 1.469 1.608 -3.701 0.53 0.00 C ATOM 1709 C ILE A 109 2.505 0.747 -4.413 0.82 0.00 C ATOM 1710 O ILE A 109 3.710 0.914 -4.218 1.00 0.00 O ATOM 1711 CB ILE A 109 0.968 0.863 -2.447 0.10 0.00 C ATOM 1712 CG1 ILE A 109 -0.073 1.705 -1.706 0.14 0.00 C ATOM 1713 CG2 ILE A 109 2.135 0.524 -1.528 0.11 0.00 C ATOM 1714 CD1 ILE A 109 -0.740 0.975 -0.560 1.00 0.00 C ATOM 0 H ILE A 109 -0.539 1.570 -4.306 0.22 0.00 H new ATOM 0 HA ILE A 109 1.927 2.548 -3.394 0.53 0.00 H new ATOM 0 HB ILE A 109 0.497 -0.068 -2.762 0.10 0.00 H new ATOM 0 HG12 ILE A 109 0.407 2.605 -1.322 0.14 0.00 H new ATOM 0 HG13 ILE A 109 -0.837 2.028 -2.413 0.14 0.00 H new ATOM 0 HG21 ILE A 109 1.764 -0.001 -0.648 0.11 0.00 H new ATOM 0 HG22 ILE A 109 2.843 -0.112 -2.059 0.11 0.00 H new ATOM 0 HG23 ILE A 109 2.633 1.443 -1.219 0.11 0.00 H new ATOM 0 HD11 ILE A 109 -1.465 1.634 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -1.249 0.089 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.014 0.676 0.168 1.00 0.00 H new ATOM 1726 N GLN A 110 2.027 -0.178 -5.241 0.18 0.00 N ATOM 1727 CA GLN A 110 2.909 -1.065 -5.989 0.17 0.00 C ATOM 1728 C GLN A 110 3.787 -0.262 -6.943 0.59 0.00 C ATOM 1729 O GLN A 110 4.923 -0.644 -7.231 0.36 0.00 O ATOM 1730 CB GLN A 110 2.090 -2.095 -6.770 0.74 0.00 C ATOM 1731 CG GLN A 110 2.941 -3.108 -7.516 0.10 0.00 C ATOM 1732 CD GLN A 110 2.113 -4.056 -8.360 0.11 0.00 C ATOM 1733 OE1 GLN A 110 1.837 -3.786 -9.529 1.00 0.00 O ATOM 1734 NE2 GLN A 110 1.713 -5.178 -7.772 0.16 0.00 N ATOM 0 H GLN A 110 1.033 -0.332 -5.410 0.18 0.00 H new ATOM 0 HA GLN A 110 3.551 -1.590 -5.281 0.17 0.00 H new ATOM 0 HB2 GLN A 110 1.432 -2.623 -6.080 0.74 0.00 H new ATOM 0 HB3 GLN A 110 1.451 -1.574 -7.483 0.74 0.00 H new ATOM 0 HG2 GLN A 110 3.649 -2.581 -8.156 0.10 0.00 H new ATOM 0 HG3 GLN A 110 3.527 -3.683 -6.799 0.10 0.00 H new ATOM 0 HE21 GLN A 110 1.964 -5.362 -6.801 0.16 0.00 H new ATOM 0 HE22 GLN A 110 1.155 -5.855 -8.292 0.16 0.00 H new ATOM 1743 N SER A 111 3.250 0.850 -7.431 1.00 0.00 N ATOM 1744 CA SER A 111 3.978 1.719 -8.350 0.71 0.00 C ATOM 1745 C SER A 111 5.096 2.462 -7.623 1.00 0.00 C ATOM 1746 O SER A 111 6.120 2.798 -8.221 0.97 0.00 O ATOM 1747 CB SER A 111 3.023 2.719 -9.006 0.71 0.00 C ATOM 1748 OG SER A 111 2.019 2.052 -9.752 0.43 0.00 O ATOM 0 H SER A 111 2.309 1.173 -7.205 1.00 0.00 H new ATOM 0 HA SER A 111 4.425 1.096 -9.125 0.71 0.00 H new ATOM 0 HB2 SER A 111 2.559 3.340 -8.240 0.71 0.00 H new ATOM 0 HB3 SER A 111 3.584 3.386 -9.660 0.71 0.00 H new ATOM 0 HG SER A 111 1.387 1.623 -9.139 0.43 0.00 H new ATOM 1754 N LEU A 112 4.894 2.716 -6.333 0.18 0.00 N ATOM 1755 CA LEU A 112 5.883 3.421 -5.525 1.00 0.00 C ATOM 1756 C LEU A 112 7.223 2.695 -5.565 0.07 0.00 C ATOM 1757 O LEU A 112 8.282 3.317 -5.492 0.21 0.00 O ATOM 1758 CB LEU A 112 5.399 3.541 -4.078 1.00 0.00 C ATOM 1759 CG LEU A 112 6.292 4.381 -3.164 0.78 0.00 C ATOM 1760 CD1 LEU A 112 6.183 5.854 -3.520 0.11 0.00 C ATOM 1761 CD2 LEU A 112 5.927 4.153 -1.704 0.05 0.00 C ATOM 0 H LEU A 112 4.053 2.443 -5.825 0.18 0.00 H new ATOM 0 HA LEU A 112 6.014 4.421 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.399 3.974 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.312 2.540 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 112 7.326 4.069 -3.311 0.78 0.00 H new ATOM 0 HD11 LEU A 112 6.825 6.436 -2.859 0.11 0.00 H new ATOM 0 HD12 LEU A 112 6.496 6.003 -4.554 0.11 0.00 H new ATOM 0 HD13 LEU A 112 5.150 6.181 -3.403 0.11 0.00 H new ATOM 0 HD21 LEU A 112 6.573 4.759 -1.069 0.05 0.00 H new ATOM 0 HD22 LEU A 112 4.887 4.437 -1.540 0.05 0.00 H new ATOM 0 HD23 LEU A 112 6.059 3.100 -1.456 0.05 0.00 H new ATOM 1773 N LEU A 113 7.165 1.373 -5.680 0.06 0.00 N ATOM 1774 CA LEU A 113 8.370 0.556 -5.739 1.00 0.00 C ATOM 1775 C LEU A 113 9.066 0.741 -7.078 1.00 0.00 C ATOM 1776 O LEU A 113 10.290 0.868 -7.143 0.14 0.00 O ATOM 1777 CB LEU A 113 8.025 -0.921 -5.545 0.21 0.00 C ATOM 1778 CG LEU A 113 6.811 -1.196 -4.659 0.32 0.00 C ATOM 1779 CD1 LEU A 113 6.537 -2.686 -4.588 0.11 0.00 C ATOM 1780 CD2 LEU A 113 7.022 -0.621 -3.267 1.00 0.00 C ATOM 0 H LEU A 113 6.295 0.844 -5.734 0.06 0.00 H new ATOM 0 HA LEU A 113 9.038 0.874 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.849 -1.368 -6.524 0.21 0.00 H new ATOM 0 HB3 LEU A 113 8.890 -1.426 -5.115 0.21 0.00 H new ATOM 0 HG LEU A 113 5.943 -0.706 -5.100 0.32 0.00 H new ATOM 0 HD11 LEU A 113 5.669 -2.867 -3.953 0.11 0.00 H new ATOM 0 HD12 LEU A 113 6.340 -3.068 -5.590 0.11 0.00 H new ATOM 0 HD13 LEU A 113 7.405 -3.196 -4.170 0.11 0.00 H new ATOM 0 HD21 LEU A 113 6.146 -0.827 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.901 -1.079 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.170 0.457 -3.337 1.00 0.00 H new ATOM 1792 N ASP A 114 8.272 0.750 -8.142 1.00 0.00 N ATOM 1793 CA ASP A 114 8.800 0.918 -9.486 0.15 0.00 C ATOM 1794 C ASP A 114 9.549 2.241 -9.602 0.31 0.00 C ATOM 1795 O ASP A 114 10.534 2.350 -10.332 0.07 0.00 O ATOM 1796 CB ASP A 114 7.667 0.865 -10.511 0.08 0.00 C ATOM 1797 CG ASP A 114 8.176 0.913 -11.938 1.00 0.00 C ATOM 1798 OD1 ASP A 114 8.607 -0.142 -12.449 0.07 0.00 O ATOM 1799 OD2 ASP A 114 8.144 2.005 -12.543 1.00 0.00 O ATOM 0 H ASP A 114 7.259 0.643 -8.098 1.00 0.00 H new ATOM 0 HA ASP A 114 9.496 0.104 -9.688 0.15 0.00 H new ATOM 0 HB2 ASP A 114 7.090 -0.048 -10.364 0.08 0.00 H new ATOM 0 HB3 ASP A 114 6.988 1.701 -10.342 0.08 0.00 H new ATOM 1804 N GLU A 115 9.068 3.242 -8.872 0.18 0.00 N ATOM 1805 CA GLU A 115 9.683 4.565 -8.875 0.06 0.00 C ATOM 1806 C GLU A 115 10.187 4.921 -7.476 0.35 0.00 C ATOM 1807 O GLU A 115 9.424 5.421 -6.648 1.00 0.00 O ATOM 1808 CB GLU A 115 8.679 5.615 -9.355 1.00 0.00 C ATOM 1809 CG GLU A 115 8.176 5.374 -10.769 0.42 0.00 C ATOM 1810 CD GLU A 115 7.210 6.446 -11.237 0.56 0.00 C ATOM 1811 OE1 GLU A 115 7.673 7.450 -11.817 0.19 0.00 O ATOM 1812 OE2 GLU A 115 5.991 6.279 -11.025 0.53 0.00 O ATOM 0 H GLU A 115 8.250 3.161 -8.268 0.18 0.00 H new ATOM 0 HA GLU A 115 10.531 4.551 -9.559 0.06 0.00 H new ATOM 0 HB2 GLU A 115 7.828 5.631 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.144 6.599 -9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.026 5.334 -11.451 0.42 0.00 H new ATOM 0 HG3 GLU A 115 7.684 4.402 -10.815 0.42 0.00 H new ATOM 1886 N PRO A 121 9.326 13.029 -1.426 0.39 0.00 N ATOM 1887 CA PRO A 121 9.962 12.277 -0.341 0.49 0.00 C ATOM 1888 C PRO A 121 9.598 12.818 1.039 0.12 0.00 C ATOM 1889 O PRO A 121 9.420 14.023 1.215 0.22 0.00 O ATOM 1890 CB PRO A 121 11.452 12.469 -0.612 0.11 0.00 C ATOM 1891 CG PRO A 121 11.541 13.790 -1.293 0.65 0.00 C ATOM 1892 CD PRO A 121 10.282 13.926 -2.109 0.36 0.00 C ATOM 0 HA PRO A 121 9.644 11.235 -0.327 0.49 0.00 H new ATOM 0 HB2 PRO A 121 12.028 12.460 0.313 0.11 0.00 H new ATOM 0 HB3 PRO A 121 11.847 11.671 -1.241 0.11 0.00 H new ATOM 0 HG2 PRO A 121 11.623 14.598 -0.566 0.65 0.00 H new ATOM 0 HG3 PRO A 121 12.425 13.842 -1.929 0.65 0.00 H new ATOM 0 HD2 PRO A 121 9.924 14.955 -2.125 0.36 0.00 H new ATOM 0 HD3 PRO A 121 10.442 13.628 -3.145 0.36 0.00 H new ATOM 1900 N ALA A 122 9.492 11.918 2.012 0.67 0.00 N ATOM 1901 CA ALA A 122 9.160 12.299 3.377 1.00 0.00 C ATOM 1902 C ALA A 122 10.353 12.074 4.297 0.56 0.00 C ATOM 1903 O ALA A 122 10.483 12.719 5.336 0.81 0.00 O ATOM 1904 CB ALA A 122 7.950 11.517 3.869 0.53 0.00 C ATOM 0 H ALA A 122 9.632 10.917 1.878 0.67 0.00 H new ATOM 0 HA ALA A 122 8.911 13.360 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.716 11.814 4.891 0.53 0.00 H new ATOM 0 HB2 ALA A 122 7.095 11.726 3.225 0.53 0.00 H new ATOM 0 HB3 ALA A 122 8.171 10.450 3.843 0.53 0.00 H new ATOM 1910 N ASN A 123 11.221 11.149 3.899 0.25 0.00 N ATOM 1911 CA ASN A 123 12.415 10.830 4.671 0.54 0.00 C ATOM 1912 C ASN A 123 13.675 11.184 3.886 0.09 0.00 C ATOM 1913 O ASN A 123 14.107 10.431 3.013 0.53 0.00 O ATOM 1914 CB ASN A 123 12.431 9.346 5.040 1.00 0.00 C ATOM 1915 CG ASN A 123 11.421 9.009 6.120 1.00 0.00 C ATOM 1916 OD1 ASN A 123 10.266 8.699 5.831 0.05 0.00 O ATOM 1917 ND2 ASN A 123 11.856 9.065 7.373 1.00 0.00 N ATOM 0 H ASN A 123 11.118 10.605 3.042 0.25 0.00 H new ATOM 0 HA ASN A 123 12.396 11.422 5.586 0.54 0.00 H new ATOM 0 HB2 ASN A 123 12.221 8.751 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.429 9.070 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 123 11.224 8.846 8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 123 12.823 9.327 7.566 1.00 0.00 H new ATOM 1924 N SER A 124 14.255 12.337 4.200 1.00 0.00 N ATOM 1925 CA SER A 124 15.464 12.793 3.523 0.06 0.00 C ATOM 1926 C SER A 124 16.633 11.854 3.802 1.00 0.00 C ATOM 1927 O SER A 124 17.474 11.618 2.935 0.65 0.00 O ATOM 1928 CB SER A 124 15.818 14.213 3.969 1.00 0.00 C ATOM 1929 OG SER A 124 14.773 15.120 3.662 0.24 0.00 O ATOM 0 H SER A 124 13.908 12.973 4.918 1.00 0.00 H new ATOM 0 HA SER A 124 15.271 12.793 2.450 0.06 0.00 H new ATOM 0 HB2 SER A 124 16.009 14.223 5.042 1.00 0.00 H new ATOM 0 HB3 SER A 124 16.737 14.533 3.478 1.00 0.00 H new ATOM 0 HG SER A 124 15.023 16.020 3.959 0.24 0.00 H new ATOM 1935 N GLN A 125 16.674 11.319 5.018 0.65 0.00 N ATOM 1936 CA GLN A 125 17.742 10.410 5.420 1.00 0.00 C ATOM 1937 C GLN A 125 17.673 9.099 4.641 0.17 0.00 C ATOM 1938 O GLN A 125 18.676 8.641 4.093 1.00 0.00 O ATOM 1939 CB GLN A 125 17.655 10.129 6.921 0.16 0.00 C ATOM 1940 CG GLN A 125 18.820 9.314 7.457 0.17 0.00 C ATOM 1941 CD GLN A 125 20.153 10.013 7.270 0.08 0.00 C ATOM 1942 OE1 GLN A 125 20.230 11.242 7.278 1.00 0.00 O ATOM 1943 NE2 GLN A 125 21.212 9.231 7.100 0.96 0.00 N ATOM 0 H GLN A 125 15.979 11.499 5.743 0.65 0.00 H new ATOM 0 HA GLN A 125 18.695 10.889 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 125 17.609 11.077 7.457 0.16 0.00 H new ATOM 0 HB3 GLN A 125 16.726 9.599 7.129 0.16 0.00 H new ATOM 0 HG2 GLN A 125 18.663 9.116 8.517 0.17 0.00 H new ATOM 0 HG3 GLN A 125 18.846 8.348 6.953 0.17 0.00 H new ATOM 0 HE21 GLN A 125 21.102 8.217 7.100 0.96 0.00 H new ATOM 0 HE22 GLN A 125 22.135 9.644 6.969 0.96 0.00 H new ATOM 1952 N ALA A 126 16.484 8.505 4.591 0.29 0.00 N ATOM 1953 CA ALA A 126 16.285 7.243 3.885 0.26 0.00 C ATOM 1954 C ALA A 126 16.781 7.325 2.446 0.17 0.00 C ATOM 1955 O ALA A 126 17.523 6.457 1.983 0.66 0.00 O ATOM 1956 CB ALA A 126 14.813 6.856 3.913 1.00 0.00 C ATOM 0 H ALA A 126 15.643 8.878 5.031 0.29 0.00 H new ATOM 0 HA ALA A 126 16.868 6.476 4.395 0.26 0.00 H new ATOM 0 HB1 ALA A 126 14.675 5.913 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.486 6.743 4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.223 7.634 3.429 1.00 0.00 H new ATOM 1962 N ALA A 127 16.367 8.372 1.740 1.00 0.00 N ATOM 1963 CA ALA A 127 16.766 8.568 0.351 0.11 0.00 C ATOM 1964 C ALA A 127 18.253 8.892 0.234 1.00 0.00 C ATOM 1965 O ALA A 127 18.904 8.514 -0.741 1.00 0.00 O ATOM 1966 CB ALA A 127 15.933 9.673 -0.282 0.51 0.00 C ATOM 0 H ALA A 127 15.754 9.099 2.108 1.00 0.00 H new ATOM 0 HA ALA A 127 16.588 7.634 -0.183 0.11 0.00 H new ATOM 0 HB1 ALA A 127 16.239 9.811 -1.319 0.51 0.00 H new ATOM 0 HB2 ALA A 127 14.879 9.398 -0.248 0.51 0.00 H new ATOM 0 HB3 ALA A 127 16.084 10.602 0.267 0.51 0.00 H new ATOM 1972 N GLN A 128 18.783 9.596 1.229 1.00 0.00 N ATOM 1973 CA GLN A 128 20.192 9.981 1.235 0.50 0.00 C ATOM 1974 C GLN A 128 21.105 8.761 1.119 0.07 0.00 C ATOM 1975 O GLN A 128 22.088 8.782 0.381 0.05 0.00 O ATOM 1976 CB GLN A 128 20.524 10.760 2.510 0.06 0.00 C ATOM 1977 CG GLN A 128 21.938 11.320 2.530 1.00 0.00 C ATOM 1978 CD GLN A 128 22.256 12.062 3.814 1.00 0.00 C ATOM 1979 OE1 GLN A 128 21.717 11.752 4.874 0.36 0.00 O ATOM 1980 NE2 GLN A 128 23.139 13.050 3.720 0.27 0.00 N ATOM 0 H GLN A 128 18.258 9.913 2.044 1.00 0.00 H new ATOM 0 HA GLN A 128 20.365 10.618 0.368 0.50 0.00 H new ATOM 0 HB2 GLN A 128 19.815 11.581 2.619 0.06 0.00 H new ATOM 0 HB3 GLN A 128 20.389 10.106 3.371 0.06 0.00 H new ATOM 0 HG2 GLN A 128 22.649 10.504 2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 128 22.069 11.994 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 128 23.561 13.272 2.819 0.27 0.00 H new ATOM 0 HE22 GLN A 128 23.395 13.586 4.549 0.27 0.00 H new ATOM 1989 N LEU A 129 20.774 7.703 1.853 0.81 0.00 N ATOM 1990 CA LEU A 129 21.571 6.478 1.834 0.56 0.00 C ATOM 1991 C LEU A 129 21.679 5.903 0.425 0.25 0.00 C ATOM 1992 O LEU A 129 22.650 5.221 0.098 0.23 0.00 O ATOM 1993 CB LEU A 129 20.963 5.432 2.774 0.10 0.00 C ATOM 1994 CG LEU A 129 21.416 5.513 4.236 0.15 0.00 C ATOM 1995 CD1 LEU A 129 22.919 5.304 4.345 0.06 0.00 C ATOM 1996 CD2 LEU A 129 21.013 6.845 4.851 0.34 0.00 C ATOM 0 H LEU A 129 19.961 7.668 2.468 0.81 0.00 H new ATOM 0 HA LEU A 129 22.574 6.733 2.176 0.56 0.00 H new ATOM 0 HB2 LEU A 129 19.878 5.529 2.743 0.10 0.00 H new ATOM 0 HB3 LEU A 129 21.206 4.441 2.391 0.10 0.00 H new ATOM 0 HG LEU A 129 20.920 4.717 4.791 0.15 0.00 H new ATOM 0 HD11 LEU A 129 23.220 5.365 5.391 0.06 0.00 H new ATOM 0 HD12 LEU A 129 23.179 4.322 3.949 0.06 0.00 H new ATOM 0 HD13 LEU A 129 23.436 6.074 3.773 0.06 0.00 H new ATOM 0 HD21 LEU A 129 21.344 6.882 5.889 0.34 0.00 H new ATOM 0 HD22 LEU A 129 21.477 7.658 4.293 0.34 0.00 H new ATOM 0 HD23 LEU A 129 19.929 6.951 4.812 0.34 0.00 H new ATOM 2008 N TYR A 130 20.680 6.182 -0.407 0.77 0.00 N ATOM 2009 CA TYR A 130 20.663 5.680 -1.777 0.08 0.00 C ATOM 2010 C TYR A 130 21.737 6.348 -2.633 0.38 0.00 C ATOM 2011 O TYR A 130 22.295 5.725 -3.537 0.30 0.00 O ATOM 2012 CB TYR A 130 19.285 5.896 -2.406 0.30 0.00 C ATOM 2013 CG TYR A 130 19.147 5.285 -3.783 1.00 0.00 C ATOM 2014 CD1 TYR A 130 18.868 3.932 -3.938 1.00 0.00 C ATOM 2015 CD2 TYR A 130 19.298 6.059 -4.925 0.21 0.00 C ATOM 2016 CE1 TYR A 130 18.743 3.370 -5.194 1.00 0.00 C ATOM 2017 CE2 TYR A 130 19.174 5.504 -6.185 0.10 0.00 C ATOM 2018 CZ TYR A 130 18.896 4.159 -6.314 0.24 0.00 C ATOM 2019 OH TYR A 130 18.773 3.603 -7.566 0.13 0.00 O ATOM 0 H TYR A 130 19.872 6.752 -0.157 0.77 0.00 H new ATOM 0 HA TYR A 130 20.878 4.612 -1.739 0.08 0.00 H new ATOM 0 HB2 TYR A 130 18.525 5.471 -1.751 0.30 0.00 H new ATOM 0 HB3 TYR A 130 19.088 6.966 -2.471 0.30 0.00 H new ATOM 0 HD1 TYR A 130 18.747 3.310 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 130 19.516 7.112 -4.828 0.21 0.00 H new ATOM 0 HE1 TYR A 130 18.526 2.317 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 130 19.294 6.120 -7.064 0.10 0.00 H new ATOM 0 HH TYR A 130 18.908 4.295 -8.246 0.13 0.00 H new ATOM 2029 N GLN A 131 22.027 7.614 -2.345 0.33 0.00 N ATOM 2030 CA GLN A 131 23.032 8.355 -3.103 0.09 0.00 C ATOM 2031 C GLN A 131 24.381 8.358 -2.388 1.00 0.00 C ATOM 2032 O GLN A 131 25.383 8.811 -2.942 0.06 0.00 O ATOM 2033 CB GLN A 131 22.567 9.792 -3.350 0.28 0.00 C ATOM 2034 CG GLN A 131 22.261 10.564 -2.076 0.31 0.00 C ATOM 2035 CD GLN A 131 21.838 11.996 -2.347 0.27 0.00 C ATOM 2036 OE1 GLN A 131 22.075 12.889 -1.534 0.52 0.00 O ATOM 2037 NE2 GLN A 131 21.205 12.222 -3.493 0.63 0.00 N ATOM 0 H GLN A 131 21.583 8.146 -1.596 0.33 0.00 H new ATOM 0 HA GLN A 131 23.158 7.852 -4.062 0.09 0.00 H new ATOM 0 HB2 GLN A 131 23.338 10.323 -3.909 0.28 0.00 H new ATOM 0 HB3 GLN A 131 21.675 9.773 -3.976 0.28 0.00 H new ATOM 0 HG2 GLN A 131 21.470 10.053 -1.528 0.31 0.00 H new ATOM 0 HG3 GLN A 131 23.143 10.565 -1.436 0.31 0.00 H new ATOM 0 HE21 GLN A 131 21.029 11.452 -4.139 0.63 0.00 H new ATOM 0 HE22 GLN A 131 20.895 13.165 -3.727 0.63 0.00 H new ATOM 2046 N GLU A 132 24.402 7.853 -1.158 0.13 0.00 N ATOM 2047 CA GLU A 132 25.632 7.803 -0.375 0.24 0.00 C ATOM 2048 C GLU A 132 26.240 6.404 -0.386 0.11 0.00 C ATOM 2049 O GLU A 132 27.180 6.130 -1.135 1.00 0.00 O ATOM 2050 CB GLU A 132 25.363 8.239 1.065 0.38 0.00 C ATOM 2051 CG GLU A 132 24.943 9.693 1.196 0.13 0.00 C ATOM 2052 CD GLU A 132 25.997 10.655 0.684 1.00 0.00 C ATOM 2053 OE1 GLU A 132 26.984 10.894 1.409 0.24 0.00 O ATOM 2054 OE2 GLU A 132 25.834 11.167 -0.444 1.00 0.00 O ATOM 0 H GLU A 132 23.583 7.473 -0.683 0.13 0.00 H new ATOM 0 HA GLU A 132 26.345 8.489 -0.832 0.24 0.00 H new ATOM 0 HB2 GLU A 132 24.583 7.606 1.487 0.38 0.00 H new ATOM 0 HB3 GLU A 132 26.262 8.075 1.659 0.38 0.00 H new ATOM 0 HG2 GLU A 132 24.016 9.850 0.645 0.13 0.00 H new ATOM 0 HG3 GLU A 132 24.733 9.913 2.243 0.13 0.00 H new ATOM 2061 N ASN A 133 25.699 5.524 0.450 1.00 0.00 N ATOM 2062 CA ASN A 133 26.191 4.155 0.547 0.46 0.00 C ATOM 2063 C ASN A 133 25.192 3.164 -0.040 1.00 0.00 C ATOM 2064 O ASN A 133 24.158 2.877 0.567 1.00 0.00 O ATOM 2065 CB ASN A 133 26.477 3.802 2.007 1.00 0.00 C ATOM 2066 CG ASN A 133 27.641 4.590 2.575 1.00 0.00 C ATOM 2067 OD1 ASN A 133 27.460 5.669 3.137 0.66 0.00 O ATOM 2068 ND2 ASN A 133 28.846 4.049 2.434 1.00 0.00 N ATOM 0 H ASN A 133 24.918 5.735 1.071 1.00 0.00 H new ATOM 0 HA ASN A 133 27.114 4.088 -0.029 0.46 0.00 H new ATOM 0 HB2 ASN A 133 25.586 3.993 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 133 26.691 2.736 2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 133 29.667 4.531 2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 133 28.950 3.151 1.961 1.00 0.00 H new ATOM 2075 N LYS A 134 25.508 2.642 -1.220 0.09 0.00 N ATOM 2076 CA LYS A 134 24.644 1.680 -1.890 0.08 0.00 C ATOM 2077 C LYS A 134 24.711 0.321 -1.199 0.23 0.00 C ATOM 2078 O LYS A 134 23.745 -0.440 -1.211 0.05 0.00 O ATOM 2079 CB LYS A 134 25.045 1.541 -3.361 0.15 0.00 C ATOM 2080 CG LYS A 134 24.877 2.825 -4.159 0.23 0.00 C ATOM 2081 CD LYS A 134 25.550 2.730 -5.521 0.05 0.00 C ATOM 2082 CE LYS A 134 27.066 2.721 -5.394 0.11 0.00 C ATOM 2083 NZ LYS A 134 27.735 2.658 -6.723 0.35 0.00 N ATOM 0 H LYS A 134 26.359 2.871 -1.733 0.09 0.00 H new ATOM 0 HA LYS A 134 23.619 2.046 -1.835 0.08 0.00 H new ATOM 0 HB2 LYS A 134 26.085 1.221 -3.417 0.15 0.00 H new ATOM 0 HB3 LYS A 134 24.445 0.756 -3.820 0.15 0.00 H new ATOM 0 HG2 LYS A 134 23.816 3.036 -4.291 0.23 0.00 H new ATOM 0 HG3 LYS A 134 25.301 3.659 -3.600 0.23 0.00 H new ATOM 0 HD2 LYS A 134 25.221 1.823 -6.028 0.05 0.00 H new ATOM 0 HD3 LYS A 134 25.241 3.572 -6.140 0.05 0.00 H new ATOM 0 HE2 LYS A 134 27.391 3.617 -4.866 0.11 0.00 H new ATOM 0 HE3 LYS A 134 27.375 1.867 -4.791 0.11 0.00 H new ATOM 0 HZ1 LYS A 134 28.767 2.654 -6.592 0.35 0.00 H new ATOM 0 HZ2 LYS A 134 27.445 1.790 -7.217 0.35 0.00 H new ATOM 0 HZ3 LYS A 134 27.461 3.486 -7.289 0.35 0.00 H new ATOM 2097 N ARG A 135 25.860 0.025 -0.595 0.20 0.00 N ATOM 2098 CA ARG A 135 26.056 -1.242 0.103 0.42 0.00 C ATOM 2099 C ARG A 135 25.139 -1.340 1.320 1.00 0.00 C ATOM 2100 O ARG A 135 24.727 -2.432 1.713 0.11 0.00 O ATOM 2101 CB ARG A 135 27.516 -1.396 0.536 0.26 0.00 C ATOM 2102 CG ARG A 135 27.808 -2.716 1.233 0.56 0.00 C ATOM 2103 CD ARG A 135 29.235 -2.774 1.754 1.00 0.00 C ATOM 2104 NE ARG A 135 29.511 -4.027 2.451 0.14 0.00 N ATOM 2105 CZ ARG A 135 30.663 -4.298 3.060 1.00 0.00 C ATOM 2106 NH1 ARG A 135 31.643 -3.404 3.062 0.26 0.00 N ATOM 2107 NH2 ARG A 135 30.832 -5.463 3.669 0.75 0.00 N ATOM 0 H ARG A 135 26.669 0.646 -0.575 0.20 0.00 H new ATOM 0 HA ARG A 135 25.805 -2.048 -0.587 0.42 0.00 H new ATOM 0 HB2 ARG A 135 28.158 -1.308 -0.341 0.26 0.00 H new ATOM 0 HB3 ARG A 135 27.776 -0.576 1.205 0.26 0.00 H new ATOM 0 HG2 ARG A 135 27.113 -2.852 2.061 0.56 0.00 H new ATOM 0 HG3 ARG A 135 27.641 -3.539 0.538 0.56 0.00 H new ATOM 0 HD2 ARG A 135 29.930 -2.661 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 135 29.409 -1.937 2.430 1.00 0.00 H new ATOM 0 HE ARG A 135 28.778 -4.736 2.472 0.14 0.00 H new ATOM 0 HH11 ARG A 135 31.515 -2.506 2.596 0.26 0.00 H new ATOM 0 HH12 ARG A 135 32.525 -3.615 3.530 0.26 0.00 H new ATOM 0 HH21 ARG A 135 30.079 -6.151 3.671 0.75 0.00 H new ATOM 0 HH22 ARG A 135 31.715 -5.671 4.136 0.75 0.00 H new ATOM 2121 N GLU A 136 24.824 -0.193 1.915 0.43 0.00 N ATOM 2122 CA GLU A 136 23.956 -0.153 3.088 1.00 0.00 C ATOM 2123 C GLU A 136 22.487 -0.253 2.685 0.96 0.00 C ATOM 2124 O GLU A 136 21.680 -0.858 3.392 0.68 0.00 O ATOM 2125 CB GLU A 136 24.194 1.134 3.881 0.35 0.00 C ATOM 2126 CG GLU A 136 25.606 1.260 4.431 0.46 0.00 C ATOM 2127 CD GLU A 136 25.950 0.163 5.419 0.15 0.00 C ATOM 2128 OE1 GLU A 136 26.437 -0.901 4.980 0.15 0.00 O ATOM 2129 OE2 GLU A 136 25.732 0.365 6.632 0.34 0.00 O ATOM 0 H GLU A 136 25.156 0.720 1.605 0.43 0.00 H new ATOM 0 HA GLU A 136 24.199 -1.009 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 136 23.986 1.990 3.239 0.35 0.00 H new ATOM 0 HB3 GLU A 136 23.486 1.177 4.709 0.35 0.00 H new ATOM 0 HG2 GLU A 136 26.317 1.235 3.605 0.46 0.00 H new ATOM 0 HG3 GLU A 136 25.717 2.229 4.918 0.46 0.00 H new ATOM 2136 N TYR A 137 22.147 0.347 1.548 0.43 0.00 N ATOM 2137 CA TYR A 137 20.776 0.324 1.049 1.00 0.00 C ATOM 2138 C TYR A 137 20.385 -1.078 0.587 0.20 0.00 C ATOM 2139 O TYR A 137 19.261 -1.525 0.820 0.59 0.00 O ATOM 2140 CB TYR A 137 20.614 1.319 -0.105 0.10 0.00 C ATOM 2141 CG TYR A 137 19.191 1.450 -0.600 0.15 0.00 C ATOM 2142 CD1 TYR A 137 18.294 2.307 0.026 0.57 0.00 C ATOM 2143 CD2 TYR A 137 18.746 0.718 -1.693 0.14 0.00 C ATOM 2144 CE1 TYR A 137 16.993 2.430 -0.423 0.06 0.00 C ATOM 2145 CE2 TYR A 137 17.445 0.837 -2.149 0.11 0.00 C ATOM 2146 CZ TYR A 137 16.575 1.693 -1.511 1.00 0.00 C ATOM 2147 OH TYR A 137 15.279 1.811 -1.961 1.00 0.00 O ATOM 0 H TYR A 137 22.803 0.855 0.955 0.43 0.00 H new ATOM 0 HA TYR A 137 20.115 0.614 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 137 20.968 2.298 0.219 0.10 0.00 H new ATOM 0 HB3 TYR A 137 21.250 1.008 -0.933 0.10 0.00 H new ATOM 0 HD1 TYR A 137 18.619 2.886 0.877 0.57 0.00 H new ATOM 0 HD2 TYR A 137 19.426 0.045 -2.195 0.14 0.00 H new ATOM 0 HE1 TYR A 137 16.307 3.099 0.075 0.06 0.00 H new ATOM 0 HE2 TYR A 137 17.114 0.262 -3.001 0.11 0.00 H new ATOM 0 HH TYR A 137 15.147 1.225 -2.736 1.00 0.00 H new ATOM 2157 N GLU A 138 21.317 -1.769 -0.066 0.50 0.00 N ATOM 2158 CA GLU A 138 21.064 -3.120 -0.560 1.00 0.00 C ATOM 2159 C GLU A 138 20.983 -4.116 0.593 0.81 0.00 C ATOM 2160 O GLU A 138 20.215 -5.078 0.543 0.09 0.00 O ATOM 2161 CB GLU A 138 22.159 -3.546 -1.541 0.98 0.00 C ATOM 2162 CG GLU A 138 23.549 -3.574 -0.926 0.72 0.00 C ATOM 2163 CD GLU A 138 24.617 -3.999 -1.914 0.31 0.00 C ATOM 2164 OE1 GLU A 138 25.080 -3.139 -2.693 0.65 0.00 O ATOM 2165 OE2 GLU A 138 24.990 -5.190 -1.911 0.07 0.00 O ATOM 0 H GLU A 138 22.253 -1.416 -0.265 0.50 0.00 H new ATOM 0 HA GLU A 138 20.106 -3.113 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 138 21.922 -4.537 -1.929 0.98 0.00 H new ATOM 0 HB3 GLU A 138 22.160 -2.863 -2.390 0.98 0.00 H new ATOM 0 HG2 GLU A 138 23.791 -2.584 -0.539 0.72 0.00 H new ATOM 0 HG3 GLU A 138 23.553 -4.257 -0.077 0.72 0.00 H new ATOM 2172 N LYS A 139 21.785 -3.884 1.626 1.00 0.00 N ATOM 2173 CA LYS A 139 21.802 -4.760 2.791 1.00 0.00 C ATOM 2174 C LYS A 139 20.570 -4.540 3.664 1.00 0.00 C ATOM 2175 O LYS A 139 20.085 -5.466 4.313 0.18 0.00 O ATOM 2176 CB LYS A 139 23.069 -4.536 3.605 1.00 0.00 C ATOM 2177 CG LYS A 139 24.273 -5.259 3.033 0.09 0.00 C ATOM 2178 CD LYS A 139 25.415 -5.312 4.029 1.00 0.00 C ATOM 2179 CE LYS A 139 25.076 -6.183 5.230 0.05 0.00 C ATOM 2180 NZ LYS A 139 24.723 -7.574 4.828 0.56 0.00 N ATOM 0 H LYS A 139 22.432 -3.097 1.680 1.00 0.00 H new ATOM 0 HA LYS A 139 21.787 -5.790 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 139 23.281 -3.468 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 139 22.902 -4.872 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 139 23.989 -6.272 2.749 0.09 0.00 H new ATOM 0 HG3 LYS A 139 24.604 -4.755 2.125 0.09 0.00 H new ATOM 0 HD2 LYS A 139 26.308 -5.700 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 139 25.650 -4.303 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 139 25.926 -6.207 5.912 0.05 0.00 H new ATOM 0 HE3 LYS A 139 24.242 -5.740 5.775 0.05 0.00 H new ATOM 0 HZ1 LYS A 139 24.781 -8.200 5.657 0.56 0.00 H new ATOM 0 HZ2 LYS A 139 23.755 -7.591 4.448 0.56 0.00 H new ATOM 0 HZ3 LYS A 139 25.387 -7.904 4.098 0.56 0.00 H new ATOM 2194 N ARG A 140 20.066 -3.309 3.670 1.00 0.00 N ATOM 2195 CA ARG A 140 18.890 -2.969 4.464 0.10 0.00 C ATOM 2196 C ARG A 140 17.617 -3.502 3.812 1.00 0.00 C ATOM 2197 O ARG A 140 16.748 -4.055 4.488 0.57 0.00 O ATOM 2198 CB ARG A 140 18.785 -1.453 4.646 0.75 0.00 C ATOM 2199 CG ARG A 140 17.605 -1.022 5.507 0.30 0.00 C ATOM 2200 CD ARG A 140 17.733 -1.538 6.931 1.00 0.00 C ATOM 2201 NE ARG A 140 18.923 -1.019 7.597 0.21 0.00 N ATOM 2202 CZ ARG A 140 19.319 -1.400 8.808 1.00 0.00 C ATOM 2203 NH1 ARG A 140 18.624 -2.307 9.482 0.81 0.00 N ATOM 2204 NH2 ARG A 140 20.411 -0.874 9.345 0.77 0.00 N ATOM 0 H ARG A 140 20.453 -2.532 3.135 1.00 0.00 H new ATOM 0 HA ARG A 140 19.001 -3.437 5.442 0.10 0.00 H new ATOM 0 HB2 ARG A 140 19.707 -1.085 5.097 0.75 0.00 H new ATOM 0 HB3 ARG A 140 18.700 -0.983 3.666 0.75 0.00 H new ATOM 0 HG2 ARG A 140 17.540 0.066 5.518 0.30 0.00 H new ATOM 0 HG3 ARG A 140 16.679 -1.392 5.067 0.30 0.00 H new ATOM 0 HD2 ARG A 140 16.847 -1.255 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 140 17.770 -2.627 6.920 1.00 0.00 H new ATOM 0 HE ARG A 140 19.484 -0.323 7.105 0.21 0.00 H new ATOM 0 HH11 ARG A 140 17.784 -2.714 9.072 0.81 0.00 H new ATOM 0 HH12 ARG A 140 18.930 -2.597 10.411 0.81 0.00 H new ATOM 0 HH21 ARG A 140 20.948 -0.177 8.829 0.77 0.00 H new ATOM 0 HH22 ARG A 140 20.714 -1.167 10.274 0.77 0.00 H new ATOM 2218 N VAL A 141 17.511 -3.332 2.496 0.05 0.00 N ATOM 2219 CA VAL A 141 16.341 -3.794 1.758 0.18 0.00 C ATOM 2220 C VAL A 141 16.211 -5.313 1.832 0.08 0.00 C ATOM 2221 O VAL A 141 15.105 -5.847 1.884 1.00 0.00 O ATOM 2222 CB VAL A 141 16.394 -3.355 0.279 0.06 0.00 C ATOM 2223 CG1 VAL A 141 17.618 -3.933 -0.413 0.09 0.00 C ATOM 2224 CG2 VAL A 141 15.123 -3.764 -0.450 0.08 0.00 C ATOM 0 H VAL A 141 18.221 -2.878 1.921 0.05 0.00 H new ATOM 0 HA VAL A 141 15.469 -3.337 2.226 0.18 0.00 H new ATOM 0 HB VAL A 141 16.469 -2.268 0.251 0.06 0.00 H new ATOM 0 HG11 VAL A 141 17.634 -3.610 -1.454 0.09 0.00 H new ATOM 0 HG12 VAL A 141 18.520 -3.582 0.089 0.09 0.00 H new ATOM 0 HG13 VAL A 141 17.579 -5.022 -0.371 0.09 0.00 H new ATOM 0 HG21 VAL A 141 15.182 -3.445 -1.491 0.08 0.00 H new ATOM 0 HG22 VAL A 141 15.012 -4.848 -0.408 0.08 0.00 H new ATOM 0 HG23 VAL A 141 14.263 -3.293 0.026 0.08 0.00 H new ATOM 2234 N SER A 142 17.345 -6.003 1.841 1.00 0.00 N ATOM 2235 CA SER A 142 17.350 -7.458 1.914 1.00 0.00 C ATOM 2236 C SER A 142 16.912 -7.931 3.296 0.15 0.00 C ATOM 2237 O SER A 142 16.326 -9.004 3.439 0.06 0.00 O ATOM 2238 CB SER A 142 18.742 -8.001 1.589 0.06 0.00 C ATOM 2239 OG SER A 142 19.708 -7.510 2.503 1.00 0.00 O ATOM 0 H SER A 142 18.272 -5.579 1.799 1.00 0.00 H new ATOM 0 HA SER A 142 16.642 -7.839 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 142 18.727 -9.090 1.621 0.06 0.00 H new ATOM 0 HB3 SER A 142 19.019 -7.716 0.574 0.06 0.00 H new ATOM 0 HG SER A 142 19.327 -6.764 3.012 1.00 0.00 H new ATOM 2245 N ALA A 143 17.201 -7.123 4.311 0.10 0.00 N ATOM 2246 CA ALA A 143 16.838 -7.455 5.684 0.23 0.00 C ATOM 2247 C ALA A 143 15.335 -7.312 5.908 0.13 0.00 C ATOM 2248 O ALA A 143 14.686 -8.232 6.410 0.75 0.00 O ATOM 2249 CB ALA A 143 17.603 -6.576 6.662 0.43 0.00 C ATOM 0 H ALA A 143 17.687 -6.232 4.208 0.10 0.00 H new ATOM 0 HA ALA A 143 17.108 -8.496 5.860 0.23 0.00 H new ATOM 0 HB1 ALA A 143 17.321 -6.836 7.682 0.43 0.00 H new ATOM 0 HB2 ALA A 143 18.674 -6.732 6.531 0.43 0.00 H new ATOM 0 HB3 ALA A 143 17.363 -5.529 6.475 0.43 0.00 H new ATOM 2255 N ILE A 144 14.788 -6.159 5.535 0.26 0.00 N ATOM 2256 CA ILE A 144 13.361 -5.900 5.700 1.00 0.00 C ATOM 2257 C ILE A 144 12.524 -6.916 4.930 0.41 0.00 C ATOM 2258 O ILE A 144 11.419 -7.266 5.344 0.23 0.00 O ATOM 2259 CB ILE A 144 12.986 -4.478 5.239 0.30 0.00 C ATOM 2260 CG1 ILE A 144 13.303 -4.293 3.753 1.00 0.00 C ATOM 2261 CG2 ILE A 144 13.725 -3.444 6.080 0.12 0.00 C ATOM 2262 CD1 ILE A 144 12.849 -2.961 3.193 1.00 0.00 C ATOM 0 H ILE A 144 15.311 -5.389 5.117 0.26 0.00 H new ATOM 0 HA ILE A 144 13.146 -5.992 6.765 1.00 0.00 H new ATOM 0 HB ILE A 144 11.914 -4.337 5.376 0.30 0.00 H new ATOM 0 HG12 ILE A 144 14.378 -4.391 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 144 12.829 -5.095 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 144 13.453 -2.442 5.747 0.12 0.00 H new ATOM 0 HG22 ILE A 144 13.451 -3.564 7.128 0.12 0.00 H new ATOM 0 HG23 ILE A 144 14.800 -3.585 5.968 0.12 0.00 H new ATOM 0 HD11 ILE A 144 13.108 -2.903 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 144 11.769 -2.867 3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 144 13.343 -2.152 3.732 1.00 0.00 H new ATOM 2274 N VAL A 145 13.057 -7.387 3.806 0.07 0.00 N ATOM 2275 CA VAL A 145 12.362 -8.368 2.982 0.11 0.00 C ATOM 2276 C VAL A 145 12.462 -9.759 3.599 0.57 0.00 C ATOM 2277 O VAL A 145 11.500 -10.527 3.582 1.00 0.00 O ATOM 2278 CB VAL A 145 12.928 -8.402 1.548 0.08 0.00 C ATOM 2279 CG1 VAL A 145 12.366 -9.584 0.769 1.00 0.00 C ATOM 2280 CG2 VAL A 145 12.628 -7.099 0.824 0.30 0.00 C ATOM 0 H VAL A 145 13.968 -7.104 3.446 0.07 0.00 H new ATOM 0 HA VAL A 145 11.315 -8.067 2.936 0.11 0.00 H new ATOM 0 HB VAL A 145 14.009 -8.521 1.615 0.08 0.00 H new ATOM 0 HG11 VAL A 145 12.781 -9.586 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 145 12.634 -10.513 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 145 11.281 -9.501 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 145 13.035 -7.142 -0.186 0.30 0.00 H new ATOM 0 HG22 VAL A 145 11.549 -6.950 0.774 0.30 0.00 H new ATOM 0 HG23 VAL A 145 13.084 -6.269 1.364 0.30 0.00 H new ATOM 2290 N GLU A 146 13.633 -10.073 4.147 0.52 0.00 N ATOM 2291 CA GLU A 146 13.864 -11.369 4.772 0.55 0.00 C ATOM 2292 C GLU A 146 12.932 -11.574 5.962 0.06 0.00 C ATOM 2293 O GLU A 146 12.401 -12.664 6.169 0.07 0.00 O ATOM 2294 CB GLU A 146 15.320 -11.483 5.222 0.25 0.00 C ATOM 2295 CG GLU A 146 15.671 -12.840 5.813 0.21 0.00 C ATOM 2296 CD GLU A 146 15.490 -13.970 4.820 0.11 0.00 C ATOM 2297 OE1 GLU A 146 14.373 -14.525 4.752 0.34 0.00 O ATOM 2298 OE2 GLU A 146 16.464 -14.298 4.112 0.25 0.00 O ATOM 0 H GLU A 146 14.437 -9.445 4.170 0.52 0.00 H new ATOM 0 HA GLU A 146 13.655 -12.145 4.036 0.55 0.00 H new ATOM 0 HB2 GLU A 146 15.971 -11.288 4.370 0.25 0.00 H new ATOM 0 HB3 GLU A 146 15.524 -10.710 5.963 0.25 0.00 H new ATOM 0 HG2 GLU A 146 16.705 -12.826 6.158 0.21 0.00 H new ATOM 0 HG3 GLU A 146 15.046 -13.025 6.687 0.21 0.00 H new ATOM 2305 N GLN A 147 12.739 -10.515 6.742 0.22 0.00 N ATOM 2306 CA GLN A 147 11.873 -10.575 7.913 1.00 0.00 C ATOM 2307 C GLN A 147 10.424 -10.821 7.507 0.26 0.00 C ATOM 2308 O GLN A 147 9.662 -11.453 8.242 0.22 0.00 O ATOM 2309 CB GLN A 147 11.979 -9.278 8.718 0.07 0.00 C ATOM 2310 CG GLN A 147 13.373 -9.012 9.263 0.23 0.00 C ATOM 2311 CD GLN A 147 13.841 -10.090 10.222 1.00 0.00 C ATOM 2312 OE1 GLN A 147 13.037 -10.718 10.911 0.76 0.00 O ATOM 2313 NE2 GLN A 147 15.150 -10.311 10.269 0.24 0.00 N ATOM 0 H GLN A 147 13.171 -9.605 6.584 0.22 0.00 H new ATOM 0 HA GLN A 147 12.201 -11.408 8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 147 11.680 -8.442 8.086 0.07 0.00 H new ATOM 0 HB3 GLN A 147 11.275 -9.317 9.549 0.07 0.00 H new ATOM 0 HG2 GLN A 147 14.076 -8.940 8.433 0.23 0.00 H new ATOM 0 HG3 GLN A 147 13.382 -8.049 9.773 0.23 0.00 H new ATOM 0 HE21 GLN A 147 15.781 -9.767 9.680 0.24 0.00 H new ATOM 0 HE22 GLN A 147 15.525 -11.025 10.894 0.24 0.00 H new ATOM 2322 N SER A 148 10.048 -10.321 6.334 0.40 0.00 N ATOM 2323 CA SER A 148 8.688 -10.488 5.830 1.00 0.00 C ATOM 2324 C SER A 148 8.638 -11.553 4.738 0.77 0.00 C ATOM 2325 O SER A 148 7.648 -11.666 4.014 1.00 0.00 O ATOM 2326 CB SER A 148 8.160 -9.159 5.283 0.39 0.00 C ATOM 2327 OG SER A 148 8.126 -8.167 6.294 0.63 0.00 O ATOM 0 H SER A 148 10.666 -9.797 5.714 0.40 0.00 H new ATOM 0 HA SER A 148 8.058 -10.812 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 148 8.793 -8.823 4.462 0.39 0.00 H new ATOM 0 HB3 SER A 148 7.159 -9.302 4.876 0.39 0.00 H new ATOM 0 HG SER A 148 7.787 -7.328 5.918 0.63 0.00 H new ATOM 2333 N TRP A 149 9.709 -12.333 4.627 1.00 0.00 N ATOM 2334 CA TRP A 149 9.785 -13.390 3.625 1.00 0.00 C ATOM 2335 C TRP A 149 9.176 -14.684 4.155 0.12 0.00 C ATOM 2336 O TRP A 149 9.797 -15.395 4.944 0.41 0.00 O ATOM 2337 CB TRP A 149 11.241 -13.629 3.213 0.15 0.00 C ATOM 2338 CG TRP A 149 11.391 -14.138 1.813 0.06 0.00 C ATOM 2339 CD1 TRP A 149 11.465 -13.389 0.674 0.56 0.00 C ATOM 2340 CD2 TRP A 149 11.487 -15.506 1.399 0.25 0.00 C ATOM 2341 NE1 TRP A 149 11.604 -14.205 -0.422 1.00 0.00 N ATOM 2342 CE2 TRP A 149 11.618 -15.510 -0.003 0.78 0.00 C ATOM 2343 CE3 TRP A 149 11.475 -16.727 2.078 1.00 0.00 C ATOM 2344 CZ2 TRP A 149 11.737 -16.688 -0.737 0.98 0.00 C ATOM 2345 CZ3 TRP A 149 11.593 -17.896 1.348 1.00 0.00 C ATOM 2346 CH2 TRP A 149 11.723 -17.869 -0.048 0.35 0.00 C ATOM 0 H TRP A 149 10.536 -12.253 5.219 1.00 0.00 H new ATOM 0 HA TRP A 149 9.216 -13.071 2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 149 11.796 -12.696 3.313 0.15 0.00 H new ATOM 0 HB3 TRP A 149 11.692 -14.344 3.901 0.15 0.00 H new ATOM 0 HD1 TRP A 149 11.421 -12.310 0.640 0.56 0.00 H new ATOM 0 HE1 TRP A 149 11.684 -13.891 -1.389 1.00 0.00 H new ATOM 0 HE3 TRP A 149 11.375 -16.758 3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 11.837 -16.669 -1.812 0.98 0.00 H new ATOM 0 HZ3 TRP A 149 11.585 -18.846 1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 149 11.814 -18.799 -0.589 0.35 0.00 H new