USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 785 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 NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 104 CYS SG : rot -112:sc= -6.51! USER MOD Set 1.2: A 107 CYS SG : rot 119:sc= -1.27! USER MOD Set 2.1: A 78 GLN : amide:sc= -1.57! C(o=-3!,f=-11!) USER MOD Set 2.2: A 124 TYR OH : rot -151:sc= -1.44 USER MOD Set 3.1: A 73 LYS NZ :NH3+ -130:sc= 2.3 (180deg=0) USER MOD Set 3.2: A 99 ASN : amide:sc= 0.609 K(o=4.6,f=-13!) USER MOD Set 3.3: A 101 SER OG : rot -1:sc= 1.7 USER MOD Set 4.1: A -1 HIS : no HE2:sc= 0.358 K(o=0.54,f=-7.6!) USER MOD Set 4.2: A -2 HIS : no HD1:sc=-0.000217 K(o=0.54,f=-0.041) USER MOD Set 4.3: A -3 HIS : no HE2:sc= 0.18 K(o=0.54,f=-2) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc=-0.000679 X(o=-0.00068,f=-0.0054) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 MET CE :methyl 168:sc= 0 (180deg=-0.156) USER MOD Single : A -8 MET N :NH3+ 160:sc= 1.41 (180deg=0.569) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0.908 K(o=0.91,f=-2.7!) USER MOD Single : A 62 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.014) USER MOD Single : A 63 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.015) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= 0.122 (180deg=-0.787!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 154:sc= -1.76! USER MOD Single : A 74 TYR OH : rot 180:sc= -0.415 USER MOD Single : A 75 CYS SG : rot -99:sc= -5.53! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 140:sc= -0.0263 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0864 F(o=-1.1!,f=-0.086) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -73:sc= 1.3 USER MOD Single : A 95 ASN : amide:sc= -0.0388 K(o=-0.039,f=-3.7!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.201 F(o=-1.8!,f=-0.2) USER MOD Single : A 111 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -4.45! C(o=-4.4!,f=-6.6!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN :FLIP amide:sc= -0.464 F(o=-3.6!,f=-0.46) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 157:sc= -0.158 (180deg=-0.832) USER MOD Single : A 137 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.2) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 140 ASN : amide:sc= 0.449 K(o=0.45,f=-0.088) USER MOD Single : A 141 GLN :FLIP amide:sc= -3.96! C(o=-4.6!,f=-4!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 146 GLN : amide:sc= -0.952 X(o=-0.95,f=-0.94) USER MOD Single : A 147 THR OG1 : rot -156:sc= -1.89! USER MOD Single : A 149 ASN :FLIP amide:sc= -2.1! C(o=-4.2!,f=-2.1!) USER MOD Single : A 152 THR OG1 : rot -89:sc= 0.754 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -14.450 3.141 14.483 1.00 72.24 N ATOM 2 CA MET A -8 -15.530 3.977 15.028 1.00 14.51 C ATOM 3 C MET A -8 -16.878 3.321 14.815 1.00 70.32 C ATOM 4 O MET A -8 -17.503 2.856 15.766 1.00 14.34 O ATOM 5 CB MET A -8 -15.522 5.413 14.456 1.00 62.23 C ATOM 6 CG MET A -8 -14.307 6.243 14.855 1.00 65.42 C ATOM 7 SD MET A -8 -12.781 5.724 14.053 1.00 44.00 S ATOM 8 CE MET A -8 -13.050 6.314 12.375 1.00 71.11 C ATOM 0 H1 MET A -8 -13.604 3.725 14.327 1.00 72.24 H new ATOM 0 H2 MET A -8 -14.226 2.380 15.156 1.00 72.24 H new ATOM 0 H3 MET A -8 -14.755 2.725 13.580 1.00 72.24 H new ATOM 0 HA MET A -8 -15.347 4.065 16.099 1.00 14.51 H new ATOM 0 HB2 MET A -8 -15.568 5.358 13.368 1.00 62.23 H new ATOM 0 HB3 MET A -8 -16.424 5.928 14.788 1.00 62.23 H new ATOM 0 HG2 MET A -8 -14.497 7.289 14.613 1.00 65.42 H new ATOM 0 HG3 MET A -8 -14.177 6.185 15.936 1.00 65.42 H new ATOM 0 HE1 MET A -8 -12.116 6.259 11.816 1.00 71.11 H new ATOM 0 HE2 MET A -8 -13.802 5.693 11.887 1.00 71.11 H new ATOM 0 HE3 MET A -8 -13.396 7.347 12.404 1.00 71.11 H new ATOM 17 N ALA A -7 -17.327 3.265 13.577 1.00 12.53 N ATOM 18 CA ALA A -7 -18.576 2.613 13.270 1.00 24.11 C ATOM 19 C ALA A -7 -18.309 1.136 13.068 1.00 12.42 C ATOM 20 O ALA A -7 -17.293 0.765 12.472 1.00 4.10 O ATOM 21 CB ALA A -7 -19.204 3.220 12.032 1.00 53.24 C ATOM 0 H ALA A -7 -16.844 3.663 12.772 1.00 12.53 H new ATOM 0 HA ALA A -7 -19.277 2.750 14.093 1.00 24.11 H new ATOM 0 HB1 ALA A -7 -20.145 2.715 11.817 1.00 53.24 H new ATOM 0 HB2 ALA A -7 -19.392 4.280 12.202 1.00 53.24 H new ATOM 0 HB3 ALA A -7 -18.527 3.102 11.186 1.00 53.24 H new ATOM 27 N HIS A -6 -19.198 0.299 13.545 1.00 63.00 N ATOM 28 CA HIS A -6 -18.996 -1.147 13.476 1.00 33.41 C ATOM 29 C HIS A -6 -19.510 -1.738 12.178 1.00 1.13 C ATOM 30 O HIS A -6 -19.512 -2.949 11.980 1.00 13.34 O ATOM 31 CB HIS A -6 -19.566 -1.860 14.704 1.00 64.24 C ATOM 32 CG HIS A -6 -18.792 -1.581 15.960 1.00 55.32 C ATOM 33 ND1 HIS A -6 -17.924 -2.474 16.536 1.00 72.31 N ATOM 34 CD2 HIS A -6 -18.756 -0.471 16.742 1.00 21.30 C ATOM 35 CE1 HIS A -6 -17.395 -1.905 17.619 1.00 10.04 C ATOM 36 NE2 HIS A -6 -17.868 -0.682 17.791 1.00 22.15 N ATOM 0 H HIS A -6 -20.072 0.584 13.987 1.00 63.00 H new ATOM 0 HA HIS A -6 -17.919 -1.316 13.484 1.00 33.41 H new ATOM 0 HB2 HIS A -6 -20.602 -1.552 14.847 1.00 64.24 H new ATOM 0 HB3 HIS A -6 -19.575 -2.935 14.521 1.00 64.24 H new ATOM 0 HD2 HIS A -6 -19.326 0.431 16.576 1.00 21.30 H new ATOM 0 HE1 HIS A -6 -16.676 -2.380 18.270 1.00 10.04 H new ATOM 0 HE2 HIS A -6 -17.631 -0.029 18.538 1.00 22.15 H new ATOM 44 N HIS A -5 -19.929 -0.868 11.305 1.00 4.34 N ATOM 45 CA HIS A -5 -20.343 -1.214 9.975 1.00 44.52 C ATOM 46 C HIS A -5 -19.795 -0.163 9.050 1.00 72.42 C ATOM 47 O HIS A -5 -19.704 1.003 9.434 1.00 31.11 O ATOM 48 CB HIS A -5 -21.880 -1.293 9.827 1.00 44.34 C ATOM 49 CG HIS A -5 -22.534 -2.451 10.525 1.00 10.02 C ATOM 50 ND1 HIS A -5 -23.699 -2.355 11.253 1.00 33.44 N ATOM 51 CD2 HIS A -5 -22.192 -3.760 10.547 1.00 72.33 C ATOM 52 CE1 HIS A -5 -24.022 -3.577 11.686 1.00 13.53 C ATOM 53 NE2 HIS A -5 -23.137 -4.471 11.286 1.00 73.32 N ATOM 0 H HIS A -5 -19.994 0.130 11.504 1.00 4.34 H new ATOM 0 HA HIS A -5 -19.962 -2.206 9.734 1.00 44.52 H new ATOM 0 HB2 HIS A -5 -22.313 -0.368 10.209 1.00 44.34 H new ATOM 0 HB3 HIS A -5 -22.124 -1.345 8.766 1.00 44.34 H new ATOM 0 HD2 HIS A -5 -21.324 -4.187 10.068 1.00 72.33 H new ATOM 0 HE1 HIS A -5 -24.892 -3.803 12.284 1.00 13.53 H new ATOM 0 HE2 HIS A -5 -23.143 -5.473 11.477 1.00 73.32 H new ATOM 61 N HIS A -4 -19.401 -0.557 7.877 1.00 51.01 N ATOM 62 CA HIS A -4 -18.879 0.378 6.897 1.00 2.12 C ATOM 63 C HIS A -4 -19.987 0.910 6.029 1.00 45.24 C ATOM 64 O HIS A -4 -21.138 0.446 6.110 1.00 30.51 O ATOM 65 CB HIS A -4 -17.781 -0.251 6.029 1.00 21.40 C ATOM 66 CG HIS A -4 -16.487 -0.482 6.743 1.00 23.43 C ATOM 67 ND1 HIS A -4 -15.456 0.427 6.759 1.00 33.31 N ATOM 68 CD2 HIS A -4 -16.062 -1.542 7.467 1.00 70.51 C ATOM 69 CE1 HIS A -4 -14.457 -0.091 7.476 1.00 11.20 C ATOM 70 NE2 HIS A -4 -14.774 -1.294 7.933 1.00 54.32 N ATOM 0 H HIS A -4 -19.427 -1.527 7.563 1.00 51.01 H new ATOM 0 HA HIS A -4 -18.430 1.204 7.448 1.00 2.12 H new ATOM 0 HB2 HIS A -4 -18.143 -1.203 5.640 1.00 21.40 H new ATOM 0 HB3 HIS A -4 -17.598 0.395 5.171 1.00 21.40 H new ATOM 0 HD2 HIS A -4 -16.632 -2.440 7.654 1.00 70.51 H new ATOM 0 HE1 HIS A -4 -13.515 0.404 7.660 1.00 11.20 H new ATOM 0 HE2 HIS A -4 -14.196 -1.909 8.506 1.00 54.32 H new ATOM 78 N HIS A -3 -19.665 1.876 5.217 1.00 2.23 N ATOM 79 CA HIS A -3 -20.624 2.469 4.328 1.00 54.42 C ATOM 80 C HIS A -3 -20.667 1.644 3.041 1.00 0.24 C ATOM 81 O HIS A -3 -19.634 1.182 2.574 1.00 72.12 O ATOM 82 CB HIS A -3 -20.225 3.933 4.045 1.00 41.21 C ATOM 83 CG HIS A -3 -21.221 4.742 3.258 1.00 40.54 C ATOM 84 ND1 HIS A -3 -20.914 5.925 2.643 1.00 64.41 N ATOM 85 CD2 HIS A -3 -22.542 4.543 3.031 1.00 31.25 C ATOM 86 CE1 HIS A -3 -22.013 6.411 2.085 1.00 61.33 C ATOM 87 NE2 HIS A -3 -23.043 5.605 2.286 1.00 1.33 N ATOM 0 H HIS A -3 -18.729 2.276 5.152 1.00 2.23 H new ATOM 0 HA HIS A -3 -21.617 2.473 4.777 1.00 54.42 H new ATOM 0 HB2 HIS A -3 -20.051 4.433 4.998 1.00 41.21 H new ATOM 0 HB3 HIS A -3 -19.277 3.934 3.506 1.00 41.21 H new ATOM 0 HD1 HIS A -3 -19.992 6.361 2.618 1.00 64.41 H new ATOM 0 HD2 HIS A -3 -23.115 3.694 3.374 1.00 31.25 H new ATOM 0 HE1 HIS A -3 -22.062 7.341 1.539 1.00 61.33 H new ATOM 95 N HIS A -2 -21.858 1.444 2.493 1.00 21.30 N ATOM 96 CA HIS A -2 -22.043 0.650 1.267 1.00 44.55 C ATOM 97 C HIS A -2 -21.455 1.335 0.022 1.00 34.10 C ATOM 98 O HIS A -2 -21.339 0.722 -1.043 1.00 1.21 O ATOM 99 CB HIS A -2 -23.528 0.268 1.053 1.00 70.43 C ATOM 100 CG HIS A -2 -24.488 1.422 0.913 1.00 14.34 C ATOM 101 ND1 HIS A -2 -25.228 1.939 1.951 1.00 12.12 N ATOM 102 CD2 HIS A -2 -24.840 2.137 -0.181 1.00 44.02 C ATOM 103 CE1 HIS A -2 -25.988 2.921 1.471 1.00 2.34 C ATOM 104 NE2 HIS A -2 -25.791 3.084 0.178 1.00 1.34 N ATOM 0 H HIS A -2 -22.724 1.822 2.877 1.00 21.30 H new ATOM 0 HA HIS A -2 -21.479 -0.272 1.411 1.00 44.55 H new ATOM 0 HB2 HIS A -2 -23.599 -0.350 0.158 1.00 70.43 H new ATOM 0 HB3 HIS A -2 -23.850 -0.348 1.893 1.00 70.43 H new ATOM 0 HD2 HIS A -2 -24.444 1.994 -1.176 1.00 44.02 H new ATOM 0 HE1 HIS A -2 -26.675 3.507 2.063 1.00 2.34 H new ATOM 0 HE2 HIS A -2 -26.243 3.765 -0.433 1.00 1.34 H new ATOM 112 N HIS A -1 -21.117 2.594 0.151 1.00 21.22 N ATOM 113 CA HIS A -1 -20.465 3.305 -0.919 1.00 42.32 C ATOM 114 C HIS A -1 -18.971 3.157 -0.775 1.00 21.42 C ATOM 115 O HIS A -1 -18.429 3.242 0.334 1.00 53.11 O ATOM 116 CB HIS A -1 -20.872 4.785 -0.978 1.00 23.51 C ATOM 117 CG HIS A -1 -22.274 5.018 -1.473 1.00 14.21 C ATOM 118 ND1 HIS A -1 -23.333 5.390 -0.672 1.00 1.45 N ATOM 119 CD2 HIS A -1 -22.772 4.952 -2.732 1.00 24.23 C ATOM 120 CE1 HIS A -1 -24.408 5.537 -1.440 1.00 73.42 C ATOM 121 NE2 HIS A -1 -24.127 5.279 -2.708 1.00 70.03 N ATOM 0 H HIS A -1 -21.284 3.149 0.990 1.00 21.22 H new ATOM 0 HA HIS A -1 -20.787 2.866 -1.863 1.00 42.32 H new ATOM 0 HB2 HIS A -1 -20.773 5.218 0.018 1.00 23.51 H new ATOM 0 HB3 HIS A -1 -20.176 5.316 -1.627 1.00 23.51 H new ATOM 0 HD1 HIS A -1 -23.298 5.529 0.338 1.00 1.45 H new ATOM 0 HD2 HIS A -1 -22.208 4.688 -3.614 1.00 24.23 H new ATOM 0 HE1 HIS A -1 -25.383 5.829 -1.077 1.00 73.42 H new ATOM 129 N ASN A 60 -18.320 2.917 -1.869 1.00 62.32 N ATOM 130 CA ASN A 60 -16.893 2.674 -1.890 1.00 11.20 C ATOM 131 C ASN A 60 -16.143 3.977 -1.957 1.00 13.15 C ATOM 132 O ASN A 60 -16.730 5.020 -2.290 1.00 5.44 O ATOM 133 CB ASN A 60 -16.512 1.771 -3.075 1.00 73.12 C ATOM 134 CG ASN A 60 -17.086 0.368 -2.955 1.00 10.31 C ATOM 135 OD1 ASN A 60 -16.464 -0.526 -2.365 1.00 73.23 O ATOM 136 ND2 ASN A 60 -18.260 0.155 -3.508 1.00 50.55 N ATOM 0 H ASN A 60 -18.760 2.882 -2.789 1.00 62.32 H new ATOM 0 HA ASN A 60 -16.617 2.160 -0.969 1.00 11.20 H new ATOM 0 HB2 ASN A 60 -16.866 2.225 -4.001 1.00 73.12 H new ATOM 0 HB3 ASN A 60 -15.426 1.710 -3.145 1.00 73.12 H new ATOM 0 HD21 ASN A 60 -18.687 -0.770 -3.459 1.00 50.55 H new ATOM 0 HD22 ASN A 60 -18.744 0.915 -3.986 1.00 50.55 H new ATOM 143 N GLN A 61 -14.863 3.939 -1.633 1.00 50.14 N ATOM 144 CA GLN A 61 -14.051 5.135 -1.651 1.00 3.32 C ATOM 145 C GLN A 61 -13.865 5.659 -3.066 1.00 73.45 C ATOM 146 O GLN A 61 -13.697 4.874 -4.022 1.00 35.54 O ATOM 147 CB GLN A 61 -12.701 4.946 -0.915 1.00 53.32 C ATOM 148 CG GLN A 61 -11.900 3.713 -1.306 1.00 54.25 C ATOM 149 CD GLN A 61 -10.552 3.648 -0.613 1.00 41.42 C ATOM 150 OE1 GLN A 61 -10.426 3.115 0.498 1.00 1.42 O ATOM 151 NE2 GLN A 61 -9.534 4.140 -1.264 1.00 51.44 N ATOM 0 H GLN A 61 -14.367 3.092 -1.355 1.00 50.14 H new ATOM 0 HA GLN A 61 -14.595 5.897 -1.093 1.00 3.32 H new ATOM 0 HB2 GLN A 61 -12.085 5.828 -1.093 1.00 53.32 H new ATOM 0 HB3 GLN A 61 -12.896 4.905 0.157 1.00 53.32 H new ATOM 0 HG2 GLN A 61 -12.474 2.819 -1.061 1.00 54.25 H new ATOM 0 HG3 GLN A 61 -11.750 3.709 -2.386 1.00 54.25 H new ATOM 0 HE21 GLN A 61 -9.673 4.572 -2.177 1.00 51.44 H new ATOM 0 HE22 GLN A 61 -8.599 4.092 -0.860 1.00 51.44 H new ATOM 160 N GLN A 62 -13.969 6.974 -3.198 1.00 5.44 N ATOM 161 CA GLN A 62 -13.818 7.664 -4.465 1.00 22.22 C ATOM 162 C GLN A 62 -12.419 7.444 -5.003 1.00 54.31 C ATOM 163 O GLN A 62 -12.230 7.196 -6.198 1.00 62.33 O ATOM 164 CB GLN A 62 -14.082 9.164 -4.279 1.00 4.12 C ATOM 165 CG GLN A 62 -13.969 9.995 -5.551 1.00 1.52 C ATOM 166 CD GLN A 62 -15.002 9.623 -6.597 1.00 15.12 C ATOM 167 OE1 GLN A 62 -14.771 8.756 -7.443 1.00 61.41 O ATOM 168 NE2 GLN A 62 -16.134 10.260 -6.549 1.00 53.22 N ATOM 0 H GLN A 62 -14.164 7.598 -2.415 1.00 5.44 H new ATOM 0 HA GLN A 62 -14.540 7.266 -5.178 1.00 22.22 H new ATOM 0 HB2 GLN A 62 -15.082 9.294 -3.864 1.00 4.12 H new ATOM 0 HB3 GLN A 62 -13.379 9.554 -3.543 1.00 4.12 H new ATOM 0 HG2 GLN A 62 -14.078 11.050 -5.300 1.00 1.52 H new ATOM 0 HG3 GLN A 62 -12.972 9.869 -5.973 1.00 1.52 H new ATOM 0 HE21 GLN A 62 -16.289 10.971 -5.834 1.00 53.22 H new ATOM 0 HE22 GLN A 62 -16.867 10.049 -7.226 1.00 53.22 H new ATOM 177 N ASN A 63 -11.443 7.525 -4.126 1.00 14.14 N ATOM 178 CA ASN A 63 -10.087 7.274 -4.524 1.00 41.33 C ATOM 179 C ASN A 63 -9.879 5.813 -4.744 1.00 24.40 C ATOM 180 O ASN A 63 -9.992 5.006 -3.825 1.00 54.20 O ATOM 181 CB ASN A 63 -9.026 7.816 -3.541 1.00 64.30 C ATOM 182 CG ASN A 63 -8.920 9.327 -3.524 1.00 31.15 C ATOM 183 OD1 ASN A 63 -8.219 9.928 -4.352 1.00 51.31 O ATOM 184 ND2 ASN A 63 -9.544 9.956 -2.566 1.00 24.05 N ATOM 0 H ASN A 63 -11.567 7.761 -3.141 1.00 14.14 H new ATOM 0 HA ASN A 63 -9.943 7.824 -5.454 1.00 41.33 H new ATOM 0 HB2 ASN A 63 -9.264 7.467 -2.536 1.00 64.30 H new ATOM 0 HB3 ASN A 63 -8.055 7.396 -3.803 1.00 64.30 H new ATOM 0 HD21 ASN A 63 -9.462 10.969 -2.483 1.00 24.05 H new ATOM 0 HD22 ASN A 63 -10.113 9.434 -1.900 1.00 24.05 H new ATOM 191 N LYS A 64 -9.643 5.475 -5.973 1.00 42.10 N ATOM 192 CA LYS A 64 -9.297 4.134 -6.360 1.00 51.04 C ATOM 193 C LYS A 64 -7.807 4.008 -6.179 1.00 2.24 C ATOM 194 O LYS A 64 -7.250 2.920 -6.088 1.00 73.33 O ATOM 195 CB LYS A 64 -9.674 3.923 -7.817 1.00 32.23 C ATOM 196 CG LYS A 64 -11.167 4.082 -8.084 1.00 20.12 C ATOM 197 CD LYS A 64 -11.474 4.115 -9.571 1.00 53.54 C ATOM 198 CE LYS A 64 -10.932 5.378 -10.227 1.00 70.32 C ATOM 199 NZ LYS A 64 -11.221 5.424 -11.668 1.00 52.54 N ATOM 0 H LYS A 64 -9.685 6.131 -6.753 1.00 42.10 H new ATOM 0 HA LYS A 64 -9.822 3.389 -5.762 1.00 51.04 H new ATOM 0 HB2 LYS A 64 -9.124 4.634 -8.434 1.00 32.23 H new ATOM 0 HB3 LYS A 64 -9.361 2.925 -8.125 1.00 32.23 H new ATOM 0 HG2 LYS A 64 -11.709 3.258 -7.619 1.00 20.12 H new ATOM 0 HG3 LYS A 64 -11.524 5.001 -7.619 1.00 20.12 H new ATOM 0 HD2 LYS A 64 -11.039 3.239 -10.052 1.00 53.54 H new ATOM 0 HD3 LYS A 64 -12.552 4.060 -9.722 1.00 53.54 H new ATOM 0 HE2 LYS A 64 -11.367 6.252 -9.743 1.00 70.32 H new ATOM 0 HE3 LYS A 64 -9.854 5.432 -10.073 1.00 70.32 H new ATOM 0 HZ1 LYS A 64 -10.834 6.301 -12.072 1.00 52.54 H new ATOM 0 HZ2 LYS A 64 -10.784 4.604 -12.136 1.00 52.54 H new ATOM 0 HZ3 LYS A 64 -12.250 5.400 -11.817 1.00 52.54 H new ATOM 213 N LYS A 65 -7.180 5.165 -6.162 1.00 51.53 N ATOM 214 CA LYS A 65 -5.796 5.324 -5.895 1.00 3.54 C ATOM 215 C LYS A 65 -5.567 5.491 -4.413 1.00 22.43 C ATOM 216 O LYS A 65 -6.508 5.522 -3.615 1.00 62.14 O ATOM 217 CB LYS A 65 -5.248 6.548 -6.631 1.00 21.24 C ATOM 218 CG LYS A 65 -4.742 6.285 -8.038 1.00 61.14 C ATOM 219 CD LYS A 65 -3.409 5.526 -8.023 1.00 53.23 C ATOM 220 CE LYS A 65 -2.268 6.341 -7.396 1.00 23.22 C ATOM 221 NZ LYS A 65 -2.003 7.631 -8.102 1.00 33.14 N ATOM 0 H LYS A 65 -7.656 6.049 -6.344 1.00 51.53 H new ATOM 0 HA LYS A 65 -5.276 4.432 -6.244 1.00 3.54 H new ATOM 0 HB2 LYS A 65 -6.032 7.304 -6.680 1.00 21.24 H new ATOM 0 HB3 LYS A 65 -4.434 6.971 -6.043 1.00 21.24 H new ATOM 0 HG2 LYS A 65 -5.484 5.709 -8.591 1.00 61.14 H new ATOM 0 HG3 LYS A 65 -4.617 7.232 -8.564 1.00 61.14 H new ATOM 0 HD2 LYS A 65 -3.532 4.595 -7.469 1.00 53.23 H new ATOM 0 HD3 LYS A 65 -3.138 5.256 -9.044 1.00 53.23 H new ATOM 0 HE2 LYS A 65 -2.510 6.549 -6.354 1.00 23.22 H new ATOM 0 HE3 LYS A 65 -1.358 5.740 -7.398 1.00 23.22 H new ATOM 0 HZ1 LYS A 65 -0.988 7.853 -8.051 1.00 33.14 H new ATOM 0 HZ2 LYS A 65 -2.289 7.547 -9.098 1.00 33.14 H new ATOM 0 HZ3 LYS A 65 -2.547 8.393 -7.649 1.00 33.14 H new ATOM 235 N VAL A 66 -4.327 5.640 -4.071 1.00 72.15 N ATOM 236 CA VAL A 66 -3.914 5.794 -2.726 1.00 35.13 C ATOM 237 C VAL A 66 -4.185 7.275 -2.326 1.00 35.44 C ATOM 238 O VAL A 66 -4.009 8.194 -3.158 1.00 44.15 O ATOM 239 CB VAL A 66 -2.386 5.428 -2.639 1.00 62.24 C ATOM 240 CG1 VAL A 66 -1.469 6.618 -2.868 1.00 35.25 C ATOM 241 CG2 VAL A 66 -2.034 4.674 -1.381 1.00 44.34 C ATOM 0 H VAL A 66 -3.559 5.657 -4.742 1.00 72.15 H new ATOM 0 HA VAL A 66 -4.456 5.141 -2.042 1.00 35.13 H new ATOM 0 HB VAL A 66 -2.208 4.746 -3.470 1.00 62.24 H new ATOM 0 HG11 VAL A 66 -0.430 6.296 -2.794 1.00 35.25 H new ATOM 0 HG12 VAL A 66 -1.651 7.032 -3.860 1.00 35.25 H new ATOM 0 HG13 VAL A 66 -1.667 7.380 -2.114 1.00 35.25 H new ATOM 0 HG21 VAL A 66 -0.967 4.450 -1.378 1.00 44.34 H new ATOM 0 HG22 VAL A 66 -2.279 5.283 -0.511 1.00 44.34 H new ATOM 0 HG23 VAL A 66 -2.601 3.744 -1.344 1.00 44.34 H new ATOM 251 N GLU A 67 -4.679 7.512 -1.130 1.00 31.12 N ATOM 252 CA GLU A 67 -4.923 8.883 -0.705 1.00 53.43 C ATOM 253 C GLU A 67 -4.152 9.244 0.571 1.00 72.44 C ATOM 254 O GLU A 67 -3.300 10.138 0.562 1.00 21.32 O ATOM 255 CB GLU A 67 -6.427 9.187 -0.579 1.00 54.24 C ATOM 256 CG GLU A 67 -7.177 8.244 0.332 1.00 53.02 C ATOM 257 CD GLU A 67 -8.621 8.639 0.537 1.00 3.41 C ATOM 258 OE1 GLU A 67 -8.882 9.592 1.311 1.00 50.14 O ATOM 259 OE2 GLU A 67 -9.523 8.014 -0.051 1.00 15.15 O ATOM 0 H GLU A 67 -4.917 6.795 -0.445 1.00 31.12 H new ATOM 0 HA GLU A 67 -4.534 9.528 -1.493 1.00 53.43 H new ATOM 0 HB2 GLU A 67 -6.550 10.205 -0.210 1.00 54.24 H new ATOM 0 HB3 GLU A 67 -6.878 9.151 -1.571 1.00 54.24 H new ATOM 0 HG2 GLU A 67 -7.138 7.238 -0.085 1.00 53.02 H new ATOM 0 HG3 GLU A 67 -6.676 8.208 1.299 1.00 53.02 H new ATOM 266 N GLY A 68 -4.385 8.503 1.629 1.00 53.43 N ATOM 267 CA GLY A 68 -3.752 8.764 2.880 1.00 11.41 C ATOM 268 C GLY A 68 -3.918 7.611 3.810 1.00 74.11 C ATOM 269 O GLY A 68 -4.984 7.409 4.398 1.00 5.13 O ATOM 0 H GLY A 68 -5.020 7.705 1.637 1.00 53.43 H new ATOM 0 HA2 GLY A 68 -2.691 8.959 2.722 1.00 11.41 H new ATOM 0 HA3 GLY A 68 -4.178 9.662 3.328 1.00 11.41 H new ATOM 273 N GLY A 69 -2.907 6.821 3.877 1.00 0.52 N ATOM 274 CA GLY A 69 -2.888 5.686 4.743 1.00 21.45 C ATOM 275 C GLY A 69 -2.267 4.486 4.088 1.00 35.11 C ATOM 276 O GLY A 69 -1.413 4.624 3.221 1.00 75.34 O ATOM 0 H GLY A 69 -2.056 6.942 3.327 1.00 0.52 H new ATOM 0 HA2 GLY A 69 -2.334 5.931 5.649 1.00 21.45 H new ATOM 0 HA3 GLY A 69 -3.907 5.446 5.047 1.00 21.45 H new ATOM 280 N TYR A 70 -2.714 3.316 4.461 1.00 2.21 N ATOM 281 CA TYR A 70 -2.185 2.093 3.915 1.00 5.23 C ATOM 282 C TYR A 70 -3.236 1.425 3.145 1.00 42.04 C ATOM 283 O TYR A 70 -4.309 1.113 3.660 1.00 50.15 O ATOM 284 CB TYR A 70 -1.664 1.187 5.011 1.00 45.33 C ATOM 285 CG TYR A 70 -0.825 1.913 6.017 1.00 3.12 C ATOM 286 CD1 TYR A 70 0.327 2.593 5.645 1.00 42.54 C ATOM 287 CD2 TYR A 70 -1.204 1.942 7.337 1.00 25.13 C ATOM 288 CE1 TYR A 70 1.069 3.287 6.571 1.00 31.42 C ATOM 289 CE2 TYR A 70 -0.478 2.618 8.264 1.00 24.00 C ATOM 290 CZ TYR A 70 0.665 3.297 7.880 1.00 22.44 C ATOM 291 OH TYR A 70 1.402 3.987 8.809 1.00 41.02 O ATOM 0 H TYR A 70 -3.454 3.183 5.151 1.00 2.21 H new ATOM 0 HA TYR A 70 -1.345 2.326 3.261 1.00 5.23 H new ATOM 0 HB2 TYR A 70 -2.507 0.718 5.519 1.00 45.33 H new ATOM 0 HB3 TYR A 70 -1.075 0.386 4.564 1.00 45.33 H new ATOM 0 HD1 TYR A 70 0.645 2.576 4.613 1.00 42.54 H new ATOM 0 HD2 TYR A 70 -2.097 1.417 7.643 1.00 25.13 H new ATOM 0 HE1 TYR A 70 1.960 3.818 6.270 1.00 31.42 H new ATOM 0 HE2 TYR A 70 -0.791 2.626 9.297 1.00 24.00 H new ATOM 0 HH TYR A 70 0.983 3.898 9.691 1.00 41.02 H new ATOM 301 N GLU A 71 -2.962 1.286 1.912 1.00 22.10 N ATOM 302 CA GLU A 71 -3.837 0.666 1.011 1.00 3.52 C ATOM 303 C GLU A 71 -3.370 -0.750 0.834 1.00 4.52 C ATOM 304 O GLU A 71 -2.182 -1.015 0.855 1.00 24.54 O ATOM 305 CB GLU A 71 -3.778 1.404 -0.315 1.00 60.22 C ATOM 306 CG GLU A 71 -4.689 0.850 -1.375 1.00 71.42 C ATOM 307 CD GLU A 71 -4.415 1.455 -2.705 1.00 50.05 C ATOM 308 OE1 GLU A 71 -3.266 1.298 -3.218 1.00 13.40 O ATOM 309 OE2 GLU A 71 -5.319 2.071 -3.295 1.00 55.23 O ATOM 0 H GLU A 71 -2.093 1.612 1.488 1.00 22.10 H new ATOM 0 HA GLU A 71 -4.864 0.681 1.377 1.00 3.52 H new ATOM 0 HB2 GLU A 71 -4.031 2.451 -0.146 1.00 60.22 H new ATOM 0 HB3 GLU A 71 -2.753 1.380 -0.685 1.00 60.22 H new ATOM 0 HG2 GLU A 71 -4.564 -0.231 -1.434 1.00 71.42 H new ATOM 0 HG3 GLU A 71 -5.726 1.036 -1.097 1.00 71.42 H new ATOM 316 N CYS A 72 -4.285 -1.632 0.758 1.00 61.21 N ATOM 317 CA CYS A 72 -3.985 -3.009 0.457 1.00 22.13 C ATOM 318 C CYS A 72 -3.733 -3.163 -1.051 1.00 54.41 C ATOM 319 O CYS A 72 -4.290 -2.429 -1.863 1.00 72.33 O ATOM 320 CB CYS A 72 -5.182 -3.892 0.768 1.00 44.23 C ATOM 321 SG CYS A 72 -5.904 -3.844 2.453 1.00 43.21 S ATOM 0 H CYS A 72 -5.276 -1.438 0.901 1.00 61.21 H new ATOM 0 HA CYS A 72 -3.116 -3.295 1.050 1.00 22.13 H new ATOM 0 HB2 CYS A 72 -5.973 -3.635 0.063 1.00 44.23 H new ATOM 0 HB3 CYS A 72 -4.894 -4.923 0.562 1.00 44.23 H new ATOM 0 HG CYS A 72 -7.160 -4.175 2.397 1.00 43.21 H new ATOM 326 N LYS A 73 -2.910 -4.115 -1.424 1.00 5.41 N ATOM 327 CA LYS A 73 -2.776 -4.468 -2.822 1.00 21.02 C ATOM 328 C LYS A 73 -3.912 -5.413 -3.185 1.00 21.33 C ATOM 329 O LYS A 73 -4.312 -5.540 -4.342 1.00 13.21 O ATOM 330 CB LYS A 73 -1.376 -5.130 -3.086 1.00 43.30 C ATOM 331 CG LYS A 73 -1.159 -5.681 -4.510 1.00 2.21 C ATOM 332 CD LYS A 73 -1.643 -7.116 -4.663 1.00 54.12 C ATOM 333 CE LYS A 73 -1.900 -7.476 -6.122 1.00 61.53 C ATOM 334 NZ LYS A 73 -0.691 -7.476 -6.963 1.00 30.10 N ATOM 0 H LYS A 73 -2.326 -4.657 -0.786 1.00 5.41 H new ATOM 0 HA LYS A 73 -2.834 -3.576 -3.446 1.00 21.02 H new ATOM 0 HB2 LYS A 73 -0.600 -4.393 -2.879 1.00 43.30 H new ATOM 0 HB3 LYS A 73 -1.239 -5.945 -2.375 1.00 43.30 H new ATOM 0 HG2 LYS A 73 -1.683 -5.047 -5.225 1.00 2.21 H new ATOM 0 HG3 LYS A 73 -0.099 -5.631 -4.757 1.00 2.21 H new ATOM 0 HD2 LYS A 73 -0.900 -7.796 -4.247 1.00 54.12 H new ATOM 0 HD3 LYS A 73 -2.559 -7.254 -4.088 1.00 54.12 H new ATOM 0 HE2 LYS A 73 -2.360 -8.463 -6.166 1.00 61.53 H new ATOM 0 HE3 LYS A 73 -2.619 -6.770 -6.538 1.00 61.53 H new ATOM 0 HZ1 LYS A 73 -0.865 -6.913 -7.820 1.00 30.10 H new ATOM 0 HZ2 LYS A 73 0.101 -7.062 -6.432 1.00 30.10 H new ATOM 0 HZ3 LYS A 73 -0.455 -8.453 -7.232 1.00 30.10 H new ATOM 348 N TYR A 74 -4.490 -5.993 -2.165 1.00 62.55 N ATOM 349 CA TYR A 74 -5.388 -7.098 -2.328 1.00 12.25 C ATOM 350 C TYR A 74 -6.841 -6.641 -2.285 1.00 4.22 C ATOM 351 O TYR A 74 -7.756 -7.461 -2.300 1.00 55.23 O ATOM 352 CB TYR A 74 -5.110 -8.142 -1.237 1.00 31.34 C ATOM 353 CG TYR A 74 -3.743 -8.024 -0.571 1.00 30.42 C ATOM 354 CD1 TYR A 74 -2.587 -8.470 -1.196 1.00 32.45 C ATOM 355 CD2 TYR A 74 -3.626 -7.466 0.698 1.00 21.21 C ATOM 356 CE1 TYR A 74 -1.358 -8.360 -0.577 1.00 12.02 C ATOM 357 CE2 TYR A 74 -2.405 -7.352 1.320 1.00 33.22 C ATOM 358 CZ TYR A 74 -1.278 -7.800 0.684 1.00 5.41 C ATOM 359 OH TYR A 74 -0.063 -7.692 1.308 1.00 2.22 O ATOM 0 H TYR A 74 -4.348 -5.708 -1.196 1.00 62.55 H new ATOM 0 HA TYR A 74 -5.220 -7.547 -3.307 1.00 12.25 H new ATOM 0 HB2 TYR A 74 -5.880 -8.059 -0.470 1.00 31.34 H new ATOM 0 HB3 TYR A 74 -5.201 -9.136 -1.674 1.00 31.34 H new ATOM 0 HD1 TYR A 74 -2.650 -8.909 -2.181 1.00 32.45 H new ATOM 0 HD2 TYR A 74 -4.513 -7.115 1.205 1.00 21.21 H new ATOM 0 HE1 TYR A 74 -0.465 -8.709 -1.075 1.00 12.02 H new ATOM 0 HE2 TYR A 74 -2.335 -6.912 2.304 1.00 33.22 H new ATOM 0 HH TYR A 74 -0.183 -7.275 2.187 1.00 2.22 H new ATOM 369 N CYS A 75 -7.036 -5.339 -2.222 1.00 24.24 N ATOM 370 CA CYS A 75 -8.352 -4.746 -2.213 1.00 12.44 C ATOM 371 C CYS A 75 -8.205 -3.254 -2.389 1.00 33.25 C ATOM 372 O CYS A 75 -7.163 -2.700 -2.037 1.00 13.13 O ATOM 373 CB CYS A 75 -9.092 -5.064 -0.893 1.00 23.43 C ATOM 374 SG CYS A 75 -8.340 -4.373 0.655 1.00 42.20 S ATOM 0 H CYS A 75 -6.277 -4.660 -2.175 1.00 24.24 H new ATOM 0 HA CYS A 75 -8.944 -5.161 -3.029 1.00 12.44 H new ATOM 0 HB2 CYS A 75 -10.113 -4.691 -0.974 1.00 23.43 H new ATOM 0 HB3 CYS A 75 -9.156 -6.147 -0.789 1.00 23.43 H new ATOM 0 HG CYS A 75 -7.636 -5.294 1.244 1.00 42.20 H new ATOM 379 N THR A 76 -9.204 -2.612 -2.924 1.00 13.21 N ATOM 380 CA THR A 76 -9.165 -1.189 -3.066 1.00 40.34 C ATOM 381 C THR A 76 -9.767 -0.557 -1.809 1.00 64.51 C ATOM 382 O THR A 76 -10.911 -0.111 -1.795 1.00 72.12 O ATOM 383 CB THR A 76 -9.919 -0.731 -4.342 1.00 52.23 C ATOM 384 OG1 THR A 76 -9.424 -1.487 -5.467 1.00 52.41 O ATOM 385 CG2 THR A 76 -9.700 0.757 -4.611 1.00 44.30 C ATOM 0 H THR A 76 -10.056 -3.054 -3.269 1.00 13.21 H new ATOM 0 HA THR A 76 -8.131 -0.862 -3.178 1.00 40.34 H new ATOM 0 HB THR A 76 -10.986 -0.901 -4.196 1.00 52.23 H new ATOM 0 HG1 THR A 76 -9.894 -1.208 -6.281 1.00 52.41 H new ATOM 0 HG21 THR A 76 -10.241 1.047 -5.512 1.00 44.30 H new ATOM 0 HG22 THR A 76 -10.066 1.338 -3.764 1.00 44.30 H new ATOM 0 HG23 THR A 76 -8.636 0.949 -4.749 1.00 44.30 H new ATOM 393 N PHE A 77 -9.029 -0.632 -0.733 1.00 43.42 N ATOM 394 CA PHE A 77 -9.460 -0.091 0.520 1.00 53.20 C ATOM 395 C PHE A 77 -8.238 0.298 1.304 1.00 71.53 C ATOM 396 O PHE A 77 -7.228 -0.439 1.304 1.00 60.53 O ATOM 397 CB PHE A 77 -10.310 -1.110 1.303 1.00 23.41 C ATOM 398 CG PHE A 77 -10.980 -0.532 2.525 1.00 0.40 C ATOM 399 CD1 PHE A 77 -12.198 0.115 2.410 1.00 1.11 C ATOM 400 CD2 PHE A 77 -10.393 -0.631 3.778 1.00 33.15 C ATOM 401 CE1 PHE A 77 -12.820 0.652 3.518 1.00 41.35 C ATOM 402 CE2 PHE A 77 -11.011 -0.096 4.890 1.00 44.23 C ATOM 403 CZ PHE A 77 -12.224 0.547 4.757 1.00 31.31 C ATOM 0 H PHE A 77 -8.109 -1.072 -0.705 1.00 43.42 H new ATOM 0 HA PHE A 77 -10.089 0.782 0.347 1.00 53.20 H new ATOM 0 HB2 PHE A 77 -11.073 -1.518 0.640 1.00 23.41 H new ATOM 0 HB3 PHE A 77 -9.675 -1.942 1.608 1.00 23.41 H new ATOM 0 HD1 PHE A 77 -12.667 0.201 1.441 1.00 1.11 H new ATOM 0 HD2 PHE A 77 -9.442 -1.132 3.884 1.00 33.15 H new ATOM 0 HE1 PHE A 77 -13.771 1.153 3.415 1.00 41.35 H new ATOM 0 HE2 PHE A 77 -10.546 -0.181 5.861 1.00 44.23 H new ATOM 0 HZ PHE A 77 -12.708 0.969 5.625 1.00 31.31 H new ATOM 413 N GLN A 78 -8.313 1.419 1.956 1.00 23.21 N ATOM 414 CA GLN A 78 -7.198 1.960 2.666 1.00 31.22 C ATOM 415 C GLN A 78 -7.543 2.385 4.091 1.00 12.23 C ATOM 416 O GLN A 78 -8.659 2.838 4.372 1.00 40.55 O ATOM 417 CB GLN A 78 -6.630 3.122 1.849 1.00 24.13 C ATOM 418 CG GLN A 78 -5.708 4.054 2.593 1.00 23.10 C ATOM 419 CD GLN A 78 -4.954 4.945 1.668 1.00 22.33 C ATOM 420 OE1 GLN A 78 -5.394 5.998 1.299 1.00 2.41 O ATOM 421 NE2 GLN A 78 -3.785 4.549 1.350 1.00 3.31 N ATOM 0 H GLN A 78 -9.158 1.987 2.009 1.00 23.21 H new ATOM 0 HA GLN A 78 -6.446 1.180 2.782 1.00 31.22 H new ATOM 0 HB2 GLN A 78 -6.091 2.712 0.995 1.00 24.13 H new ATOM 0 HB3 GLN A 78 -7.462 3.704 1.452 1.00 24.13 H new ATOM 0 HG2 GLN A 78 -6.289 4.660 3.288 1.00 23.10 H new ATOM 0 HG3 GLN A 78 -5.005 3.471 3.188 1.00 23.10 H new ATOM 0 HE21 GLN A 78 -3.444 3.647 1.682 1.00 3.31 H new ATOM 0 HE22 GLN A 78 -3.190 5.134 0.763 1.00 3.31 H new ATOM 430 N THR A 79 -6.585 2.212 4.977 1.00 73.23 N ATOM 431 CA THR A 79 -6.680 2.673 6.330 1.00 4.44 C ATOM 432 C THR A 79 -5.305 3.214 6.774 1.00 21.54 C ATOM 433 O THR A 79 -4.290 2.553 6.615 1.00 50.42 O ATOM 434 CB THR A 79 -7.199 1.573 7.313 1.00 73.44 C ATOM 435 OG1 THR A 79 -7.230 2.081 8.656 1.00 12.42 O ATOM 436 CG2 THR A 79 -6.331 0.326 7.273 1.00 41.33 C ATOM 0 H THR A 79 -5.707 1.738 4.765 1.00 73.23 H new ATOM 0 HA THR A 79 -7.421 3.472 6.363 1.00 4.44 H new ATOM 0 HB THR A 79 -8.205 1.303 6.993 1.00 73.44 H new ATOM 0 HG1 THR A 79 -8.040 1.763 9.107 1.00 12.42 H new ATOM 0 HG21 THR A 79 -6.725 -0.414 7.970 1.00 41.33 H new ATOM 0 HG22 THR A 79 -6.334 -0.087 6.264 1.00 41.33 H new ATOM 0 HG23 THR A 79 -5.310 0.584 7.556 1.00 41.33 H new ATOM 444 N PRO A 80 -5.246 4.472 7.212 1.00 24.43 N ATOM 445 CA PRO A 80 -4.011 5.087 7.739 1.00 53.24 C ATOM 446 C PRO A 80 -3.571 4.530 9.080 1.00 4.21 C ATOM 447 O PRO A 80 -2.515 4.892 9.595 1.00 15.12 O ATOM 448 CB PRO A 80 -4.360 6.568 7.855 1.00 72.12 C ATOM 449 CG PRO A 80 -5.843 6.610 7.924 1.00 24.33 C ATOM 450 CD PRO A 80 -6.335 5.446 7.118 1.00 53.15 C ATOM 0 HA PRO A 80 -3.166 4.883 7.081 1.00 53.24 H new ATOM 0 HB2 PRO A 80 -3.911 7.011 8.744 1.00 72.12 H new ATOM 0 HB3 PRO A 80 -3.989 7.129 6.997 1.00 72.12 H new ATOM 0 HG2 PRO A 80 -6.186 6.541 8.956 1.00 24.33 H new ATOM 0 HG3 PRO A 80 -6.224 7.549 7.523 1.00 24.33 H new ATOM 0 HD2 PRO A 80 -7.266 5.046 7.520 1.00 53.15 H new ATOM 0 HD3 PRO A 80 -6.530 5.729 6.084 1.00 53.15 H new ATOM 458 N ASP A 81 -4.356 3.657 9.624 1.00 34.25 N ATOM 459 CA ASP A 81 -4.030 3.040 10.870 1.00 21.24 C ATOM 460 C ASP A 81 -3.457 1.685 10.620 1.00 51.31 C ATOM 461 O ASP A 81 -4.163 0.791 10.163 1.00 71.23 O ATOM 462 CB ASP A 81 -5.245 2.936 11.789 1.00 25.20 C ATOM 463 CG ASP A 81 -5.697 4.266 12.330 1.00 50.11 C ATOM 464 OD1 ASP A 81 -5.005 4.825 13.221 1.00 55.03 O ATOM 465 OD2 ASP A 81 -6.778 4.770 11.911 1.00 30.22 O ATOM 0 H ASP A 81 -5.240 3.351 9.218 1.00 34.25 H new ATOM 0 HA ASP A 81 -3.294 3.666 11.374 1.00 21.24 H new ATOM 0 HB2 ASP A 81 -6.068 2.475 11.242 1.00 25.20 H new ATOM 0 HB3 ASP A 81 -5.006 2.275 12.622 1.00 25.20 H new ATOM 470 N LEU A 82 -2.171 1.537 10.898 1.00 2.21 N ATOM 471 CA LEU A 82 -1.433 0.290 10.725 1.00 12.03 C ATOM 472 C LEU A 82 -2.164 -0.835 11.467 1.00 31.13 C ATOM 473 O LEU A 82 -2.310 -1.929 10.942 1.00 31.23 O ATOM 474 CB LEU A 82 0.000 0.455 11.289 1.00 44.42 C ATOM 475 CG LEU A 82 1.136 -0.403 10.661 1.00 0.22 C ATOM 476 CD1 LEU A 82 0.814 -1.872 10.655 1.00 15.45 C ATOM 477 CD2 LEU A 82 1.447 0.067 9.265 1.00 1.30 C ATOM 0 H LEU A 82 -1.595 2.298 11.259 1.00 2.21 H new ATOM 0 HA LEU A 82 -1.370 0.041 9.666 1.00 12.03 H new ATOM 0 HB2 LEU A 82 0.279 1.504 11.189 1.00 44.42 H new ATOM 0 HB3 LEU A 82 -0.034 0.235 12.356 1.00 44.42 H new ATOM 0 HG LEU A 82 2.016 -0.268 11.290 1.00 0.22 H new ATOM 0 HD11 LEU A 82 1.640 -2.424 10.206 1.00 15.45 H new ATOM 0 HD12 LEU A 82 0.662 -2.215 11.678 1.00 15.45 H new ATOM 0 HD13 LEU A 82 -0.094 -2.043 10.076 1.00 15.45 H new ATOM 0 HD21 LEU A 82 2.244 -0.546 8.844 1.00 1.30 H new ATOM 0 HD22 LEU A 82 0.555 -0.021 8.644 1.00 1.30 H new ATOM 0 HD23 LEU A 82 1.767 1.108 9.295 1.00 1.30 H new ATOM 489 N ASN A 83 -2.657 -0.512 12.669 1.00 24.12 N ATOM 490 CA ASN A 83 -3.401 -1.416 13.534 1.00 41.14 C ATOM 491 C ASN A 83 -4.507 -2.057 12.737 1.00 23.22 C ATOM 492 O ASN A 83 -4.663 -3.276 12.742 1.00 55.23 O ATOM 493 CB ASN A 83 -4.065 -0.592 14.635 1.00 60.33 C ATOM 494 CG ASN A 83 -4.570 -1.388 15.836 1.00 72.01 C ATOM 495 OD1 ASN A 83 -4.976 -2.604 15.643 1.00 1.21 O flip ATOM 496 ND2 ASN A 83 -4.605 -0.871 16.943 1.00 13.00 N flip ATOM 0 H ASN A 83 -2.542 0.417 13.073 1.00 24.12 H new ATOM 0 HA ASN A 83 -2.728 -2.168 13.946 1.00 41.14 H new ATOM 0 HB2 ASN A 83 -3.352 0.152 14.988 1.00 60.33 H new ATOM 0 HB3 ASN A 83 -4.905 -0.048 14.202 1.00 60.33 H new ATOM 0 HD21 ASN A 83 -4.280 0.087 17.069 1.00 13.00 H new ATOM 0 HD22 ASN A 83 -4.960 -1.398 17.741 1.00 13.00 H new ATOM 503 N MET A 84 -5.239 -1.223 12.027 1.00 65.30 N ATOM 504 CA MET A 84 -6.381 -1.659 11.277 1.00 72.21 C ATOM 505 C MET A 84 -5.930 -2.308 10.013 1.00 24.12 C ATOM 506 O MET A 84 -6.489 -3.287 9.615 1.00 43.13 O ATOM 507 CB MET A 84 -7.324 -0.499 10.953 1.00 3.12 C ATOM 508 CG MET A 84 -7.746 0.323 12.154 1.00 63.11 C ATOM 509 SD MET A 84 -8.556 -0.653 13.438 1.00 62.10 S ATOM 510 CE MET A 84 -8.883 0.626 14.652 1.00 25.43 C ATOM 0 H MET A 84 -5.052 -0.223 11.959 1.00 65.30 H new ATOM 0 HA MET A 84 -6.931 -2.374 11.889 1.00 72.21 H new ATOM 0 HB2 MET A 84 -6.837 0.158 10.232 1.00 3.12 H new ATOM 0 HB3 MET A 84 -8.216 -0.897 10.470 1.00 3.12 H new ATOM 0 HG2 MET A 84 -6.868 0.811 12.578 1.00 63.11 H new ATOM 0 HG3 MET A 84 -8.423 1.112 11.826 1.00 63.11 H new ATOM 0 HE1 MET A 84 -9.384 0.188 15.515 1.00 25.43 H new ATOM 0 HE2 MET A 84 -7.942 1.077 14.968 1.00 25.43 H new ATOM 0 HE3 MET A 84 -9.522 1.391 14.211 1.00 25.43 H new ATOM 520 N PHE A 85 -4.879 -1.769 9.415 1.00 70.02 N ATOM 521 CA PHE A 85 -4.338 -2.293 8.173 1.00 65.01 C ATOM 522 C PHE A 85 -3.910 -3.736 8.323 1.00 62.11 C ATOM 523 O PHE A 85 -4.400 -4.599 7.621 1.00 71.21 O ATOM 524 CB PHE A 85 -3.165 -1.425 7.671 1.00 55.31 C ATOM 525 CG PHE A 85 -2.407 -2.029 6.510 1.00 33.21 C ATOM 526 CD1 PHE A 85 -2.923 -2.015 5.207 1.00 74.10 C ATOM 527 CD2 PHE A 85 -1.172 -2.621 6.732 1.00 55.24 C ATOM 528 CE1 PHE A 85 -2.209 -2.579 4.167 1.00 10.13 C ATOM 529 CE2 PHE A 85 -0.461 -3.182 5.693 1.00 64.44 C ATOM 530 CZ PHE A 85 -0.977 -3.161 4.409 1.00 71.43 C ATOM 0 H PHE A 85 -4.379 -0.957 9.777 1.00 70.02 H new ATOM 0 HA PHE A 85 -5.133 -2.257 7.428 1.00 65.01 H new ATOM 0 HB2 PHE A 85 -3.550 -0.450 7.373 1.00 55.31 H new ATOM 0 HB3 PHE A 85 -2.472 -1.256 8.496 1.00 55.31 H new ATOM 0 HD1 PHE A 85 -3.884 -1.561 5.015 1.00 74.10 H new ATOM 0 HD2 PHE A 85 -0.763 -2.643 7.731 1.00 55.24 H new ATOM 0 HE1 PHE A 85 -2.612 -2.566 3.165 1.00 10.13 H new ATOM 0 HE2 PHE A 85 0.500 -3.638 5.881 1.00 64.44 H new ATOM 0 HZ PHE A 85 -0.418 -3.599 3.595 1.00 71.43 H new ATOM 540 N THR A 86 -3.063 -4.007 9.291 1.00 31.32 N ATOM 541 CA THR A 86 -2.566 -5.351 9.478 1.00 22.32 C ATOM 542 C THR A 86 -3.672 -6.266 10.001 1.00 20.20 C ATOM 543 O THR A 86 -3.658 -7.460 9.750 1.00 55.31 O ATOM 544 CB THR A 86 -1.271 -5.417 10.354 1.00 43.30 C ATOM 545 OG1 THR A 86 -0.798 -6.768 10.479 1.00 32.24 O ATOM 546 CG2 THR A 86 -1.491 -4.826 11.729 1.00 22.13 C ATOM 0 H THR A 86 -2.706 -3.321 9.956 1.00 31.32 H new ATOM 0 HA THR A 86 -2.261 -5.718 8.498 1.00 22.32 H new ATOM 0 HB THR A 86 -0.515 -4.821 9.842 1.00 43.30 H new ATOM 0 HG1 THR A 86 0.013 -6.781 11.030 1.00 32.24 H new ATOM 0 HG21 THR A 86 -0.568 -4.891 12.305 1.00 22.13 H new ATOM 0 HG22 THR A 86 -1.786 -3.781 11.633 1.00 22.13 H new ATOM 0 HG23 THR A 86 -2.278 -5.379 12.241 1.00 22.13 H new ATOM 554 N PHE A 87 -4.648 -5.684 10.684 1.00 44.34 N ATOM 555 CA PHE A 87 -5.801 -6.426 11.149 1.00 21.10 C ATOM 556 C PHE A 87 -6.650 -6.844 9.963 1.00 45.51 C ATOM 557 O PHE A 87 -6.974 -8.007 9.797 1.00 55.12 O ATOM 558 CB PHE A 87 -6.622 -5.591 12.141 1.00 5.22 C ATOM 559 CG PHE A 87 -8.032 -6.075 12.314 1.00 64.32 C ATOM 560 CD1 PHE A 87 -8.297 -7.252 12.986 1.00 62.44 C ATOM 561 CD2 PHE A 87 -9.089 -5.343 11.799 1.00 65.31 C ATOM 562 CE1 PHE A 87 -9.596 -7.695 13.145 1.00 64.51 C ATOM 563 CE2 PHE A 87 -10.389 -5.779 11.950 1.00 34.01 C ATOM 564 CZ PHE A 87 -10.645 -6.957 12.627 1.00 54.43 C ATOM 0 H PHE A 87 -4.659 -4.693 10.927 1.00 44.34 H new ATOM 0 HA PHE A 87 -5.460 -7.320 11.671 1.00 21.10 H new ATOM 0 HB2 PHE A 87 -6.123 -5.599 13.110 1.00 5.22 H new ATOM 0 HB3 PHE A 87 -6.642 -4.555 11.802 1.00 5.22 H new ATOM 0 HD1 PHE A 87 -7.481 -7.832 13.391 1.00 62.44 H new ATOM 0 HD2 PHE A 87 -8.893 -4.420 11.273 1.00 65.31 H new ATOM 0 HE1 PHE A 87 -9.792 -8.616 13.673 1.00 64.51 H new ATOM 0 HE2 PHE A 87 -11.205 -5.202 11.540 1.00 34.01 H new ATOM 0 HZ PHE A 87 -11.661 -7.300 12.751 1.00 54.43 H new ATOM 574 N HIS A 88 -6.969 -5.878 9.149 1.00 40.05 N ATOM 575 CA HIS A 88 -7.727 -6.044 7.935 1.00 72.21 C ATOM 576 C HIS A 88 -6.999 -7.017 7.000 1.00 11.11 C ATOM 577 O HIS A 88 -7.614 -7.754 6.259 1.00 60.42 O ATOM 578 CB HIS A 88 -7.937 -4.634 7.327 1.00 41.43 C ATOM 579 CG HIS A 88 -8.452 -4.532 5.925 1.00 23.51 C ATOM 580 ND1 HIS A 88 -9.693 -4.046 5.593 1.00 22.32 N ATOM 581 CD2 HIS A 88 -7.819 -4.764 4.767 1.00 34.01 C ATOM 582 CE1 HIS A 88 -9.786 -3.988 4.273 1.00 63.54 C ATOM 583 NE2 HIS A 88 -8.647 -4.419 3.693 1.00 3.32 N ATOM 0 H HIS A 88 -6.697 -4.910 9.318 1.00 40.05 H new ATOM 0 HA HIS A 88 -8.707 -6.486 8.116 1.00 72.21 H new ATOM 0 HB2 HIS A 88 -8.627 -4.093 7.974 1.00 41.43 H new ATOM 0 HB3 HIS A 88 -6.983 -4.109 7.369 1.00 41.43 H new ATOM 0 HD1 HIS A 88 -10.422 -3.775 6.253 1.00 22.32 H new ATOM 0 HD2 HIS A 88 -6.818 -5.159 4.676 1.00 34.01 H new ATOM 0 HE1 HIS A 88 -10.656 -3.642 3.734 1.00 63.54 H new ATOM 591 N VAL A 89 -5.699 -7.033 7.078 1.00 43.23 N ATOM 592 CA VAL A 89 -4.915 -7.968 6.327 1.00 51.23 C ATOM 593 C VAL A 89 -5.027 -9.345 6.935 1.00 5.13 C ATOM 594 O VAL A 89 -5.481 -10.237 6.296 1.00 51.13 O ATOM 595 CB VAL A 89 -3.435 -7.532 6.199 1.00 13.52 C ATOM 596 CG1 VAL A 89 -2.577 -8.644 5.603 1.00 21.33 C ATOM 597 CG2 VAL A 89 -3.331 -6.300 5.322 1.00 33.34 C ATOM 0 H VAL A 89 -5.155 -6.399 7.663 1.00 43.23 H new ATOM 0 HA VAL A 89 -5.316 -7.994 5.314 1.00 51.23 H new ATOM 0 HB VAL A 89 -3.068 -7.309 7.201 1.00 13.52 H new ATOM 0 HG11 VAL A 89 -1.544 -8.305 5.527 1.00 21.33 H new ATOM 0 HG12 VAL A 89 -2.624 -9.524 6.245 1.00 21.33 H new ATOM 0 HG13 VAL A 89 -2.949 -8.899 4.611 1.00 21.33 H new ATOM 0 HG21 VAL A 89 -2.286 -6.001 5.238 1.00 33.34 H new ATOM 0 HG22 VAL A 89 -3.725 -6.525 4.331 1.00 33.34 H new ATOM 0 HG23 VAL A 89 -3.907 -5.488 5.766 1.00 33.34 H new ATOM 607 N ASP A 90 -4.728 -9.473 8.206 1.00 41.30 N ATOM 608 CA ASP A 90 -4.722 -10.786 8.868 1.00 42.24 C ATOM 609 C ASP A 90 -6.105 -11.420 8.855 1.00 41.24 C ATOM 610 O ASP A 90 -6.257 -12.652 8.831 1.00 20.12 O ATOM 611 CB ASP A 90 -4.225 -10.647 10.298 1.00 75.23 C ATOM 612 CG ASP A 90 -4.196 -11.954 11.045 1.00 35.21 C ATOM 613 OD1 ASP A 90 -3.293 -12.785 10.799 1.00 63.10 O ATOM 614 OD2 ASP A 90 -5.064 -12.171 11.910 1.00 15.33 O ATOM 0 H ASP A 90 -4.484 -8.692 8.815 1.00 41.30 H new ATOM 0 HA ASP A 90 -4.048 -11.439 8.314 1.00 42.24 H new ATOM 0 HB2 ASP A 90 -3.222 -10.220 10.288 1.00 75.23 H new ATOM 0 HB3 ASP A 90 -4.865 -9.945 10.832 1.00 75.23 H new ATOM 619 N SER A 91 -7.095 -10.587 8.828 1.00 41.45 N ATOM 620 CA SER A 91 -8.441 -11.041 8.853 1.00 13.23 C ATOM 621 C SER A 91 -8.995 -11.255 7.438 1.00 1.42 C ATOM 622 O SER A 91 -9.593 -12.290 7.154 1.00 71.44 O ATOM 623 CB SER A 91 -9.306 -10.037 9.628 1.00 53.51 C ATOM 624 OG SER A 91 -10.614 -10.532 9.863 1.00 23.23 O ATOM 0 H SER A 91 -6.989 -9.573 8.788 1.00 41.45 H new ATOM 0 HA SER A 91 -8.468 -12.007 9.357 1.00 13.23 H new ATOM 0 HB2 SER A 91 -8.829 -9.807 10.581 1.00 53.51 H new ATOM 0 HB3 SER A 91 -9.367 -9.103 9.069 1.00 53.51 H new ATOM 0 HG SER A 91 -11.122 -10.525 9.025 1.00 23.23 H new ATOM 630 N GLU A 92 -8.762 -10.319 6.544 1.00 35.01 N ATOM 631 CA GLU A 92 -9.461 -10.365 5.255 1.00 31.43 C ATOM 632 C GLU A 92 -8.553 -10.784 4.098 1.00 12.41 C ATOM 633 O GLU A 92 -9.038 -11.117 3.008 1.00 71.53 O ATOM 634 CB GLU A 92 -10.111 -9.014 4.956 1.00 52.11 C ATOM 635 CG GLU A 92 -10.932 -8.442 6.115 1.00 71.13 C ATOM 636 CD GLU A 92 -12.080 -9.333 6.570 1.00 62.51 C ATOM 637 OE1 GLU A 92 -13.146 -9.354 5.902 1.00 70.34 O ATOM 638 OE2 GLU A 92 -11.966 -9.987 7.634 1.00 45.30 O ATOM 0 H GLU A 92 -8.119 -9.537 6.667 1.00 35.01 H new ATOM 0 HA GLU A 92 -10.232 -11.131 5.343 1.00 31.43 H new ATOM 0 HB2 GLU A 92 -9.332 -8.300 4.690 1.00 52.11 H new ATOM 0 HB3 GLU A 92 -10.758 -9.119 4.085 1.00 52.11 H new ATOM 0 HG2 GLU A 92 -10.269 -8.264 6.961 1.00 71.13 H new ATOM 0 HG3 GLU A 92 -11.335 -7.474 5.816 1.00 71.13 H new ATOM 645 N HIS A 93 -7.255 -10.746 4.309 1.00 14.43 N ATOM 646 CA HIS A 93 -6.274 -11.169 3.276 1.00 3.24 C ATOM 647 C HIS A 93 -5.097 -11.862 3.987 1.00 0.15 C ATOM 648 O HIS A 93 -3.952 -11.430 3.841 1.00 55.12 O ATOM 649 CB HIS A 93 -5.676 -9.957 2.503 1.00 13.05 C ATOM 650 CG HIS A 93 -6.583 -8.783 2.242 1.00 23.51 C ATOM 651 ND1 HIS A 93 -7.642 -8.801 1.374 1.00 42.20 N ATOM 652 CD2 HIS A 93 -6.547 -7.527 2.771 1.00 55.05 C ATOM 653 CE1 HIS A 93 -8.216 -7.608 1.390 1.00 44.32 C ATOM 654 NE2 HIS A 93 -7.582 -6.771 2.231 1.00 51.25 N ATOM 0 H HIS A 93 -6.832 -10.429 5.182 1.00 14.43 H new ATOM 0 HA HIS A 93 -6.793 -11.821 2.574 1.00 3.24 H new ATOM 0 HB2 HIS A 93 -4.811 -9.597 3.060 1.00 13.05 H new ATOM 0 HB3 HIS A 93 -5.309 -10.319 1.542 1.00 13.05 H new ATOM 0 HD1 HIS A 93 -7.938 -9.598 0.811 1.00 42.20 H new ATOM 0 HD2 HIS A 93 -5.828 -7.174 3.496 1.00 55.05 H new ATOM 0 HE1 HIS A 93 -9.082 -7.341 0.803 1.00 44.32 H new ATOM 662 N PRO A 94 -5.354 -12.932 4.763 1.00 31.33 N ATOM 663 CA PRO A 94 -4.334 -13.531 5.626 1.00 71.43 C ATOM 664 C PRO A 94 -3.097 -14.049 4.879 1.00 74.23 C ATOM 665 O PRO A 94 -1.971 -13.578 5.118 1.00 64.45 O ATOM 666 CB PRO A 94 -5.079 -14.660 6.345 1.00 32.55 C ATOM 667 CG PRO A 94 -6.260 -14.952 5.479 1.00 12.44 C ATOM 668 CD PRO A 94 -6.636 -13.660 4.847 1.00 44.53 C ATOM 0 HA PRO A 94 -3.913 -12.788 6.303 1.00 71.43 H new ATOM 0 HB2 PRO A 94 -4.446 -15.540 6.461 1.00 32.55 H new ATOM 0 HB3 PRO A 94 -5.388 -14.356 7.345 1.00 32.55 H new ATOM 0 HG2 PRO A 94 -6.015 -15.699 4.724 1.00 12.44 H new ATOM 0 HG3 PRO A 94 -7.085 -15.353 6.067 1.00 12.44 H new ATOM 0 HD2 PRO A 94 -7.079 -13.809 3.862 1.00 44.53 H new ATOM 0 HD3 PRO A 94 -7.367 -13.118 5.446 1.00 44.53 H new ATOM 676 N ASN A 95 -3.287 -14.977 3.972 1.00 50.31 N ATOM 677 CA ASN A 95 -2.161 -15.562 3.280 1.00 75.32 C ATOM 678 C ASN A 95 -2.154 -15.140 1.839 1.00 11.21 C ATOM 679 O ASN A 95 -2.923 -15.649 1.012 1.00 43.12 O ATOM 680 CB ASN A 95 -2.124 -17.098 3.414 1.00 24.53 C ATOM 681 CG ASN A 95 -1.893 -17.584 4.849 1.00 30.45 C ATOM 682 OD1 ASN A 95 -2.310 -16.961 5.823 1.00 1.12 O ATOM 683 ND2 ASN A 95 -1.204 -18.673 4.989 1.00 65.45 N ATOM 0 H ASN A 95 -4.199 -15.341 3.697 1.00 50.31 H new ATOM 0 HA ASN A 95 -1.255 -15.187 3.756 1.00 75.32 H new ATOM 0 HB2 ASN A 95 -3.065 -17.509 3.047 1.00 24.53 H new ATOM 0 HB3 ASN A 95 -1.334 -17.491 2.775 1.00 24.53 H new ATOM 0 HD21 ASN A 95 -0.998 -19.030 5.922 1.00 65.45 H new ATOM 0 HD22 ASN A 95 -0.868 -19.173 4.166 1.00 65.45 H new ATOM 690 N VAL A 96 -1.324 -14.186 1.536 1.00 73.32 N ATOM 691 CA VAL A 96 -1.244 -13.639 0.210 1.00 51.33 C ATOM 692 C VAL A 96 0.071 -13.954 -0.483 1.00 4.55 C ATOM 693 O VAL A 96 1.163 -13.729 0.058 1.00 53.45 O ATOM 694 CB VAL A 96 -1.516 -12.107 0.174 1.00 51.24 C ATOM 695 CG1 VAL A 96 -2.975 -11.820 0.460 1.00 61.20 C ATOM 696 CG2 VAL A 96 -0.640 -11.363 1.174 1.00 13.35 C ATOM 0 H VAL A 96 -0.680 -13.762 2.203 1.00 73.32 H new ATOM 0 HA VAL A 96 -2.039 -14.135 -0.346 1.00 51.33 H new ATOM 0 HB VAL A 96 -1.270 -11.754 -0.827 1.00 51.24 H new ATOM 0 HG11 VAL A 96 -3.147 -10.744 0.431 1.00 61.20 H new ATOM 0 HG12 VAL A 96 -3.596 -12.307 -0.292 1.00 61.20 H new ATOM 0 HG13 VAL A 96 -3.234 -12.202 1.447 1.00 61.20 H new ATOM 0 HG21 VAL A 96 -0.855 -10.296 1.123 1.00 13.35 H new ATOM 0 HG22 VAL A 96 -0.847 -11.727 2.180 1.00 13.35 H new ATOM 0 HG23 VAL A 96 0.410 -11.533 0.935 1.00 13.35 H new ATOM 706 N VAL A 97 -0.045 -14.547 -1.620 1.00 70.32 N ATOM 707 CA VAL A 97 1.044 -14.776 -2.507 1.00 75.45 C ATOM 708 C VAL A 97 0.494 -14.680 -3.932 1.00 41.43 C ATOM 709 O VAL A 97 -0.032 -15.636 -4.499 1.00 65.44 O ATOM 710 CB VAL A 97 1.830 -16.117 -2.216 1.00 64.01 C ATOM 711 CG1 VAL A 97 0.922 -17.337 -2.177 1.00 31.22 C ATOM 712 CG2 VAL A 97 2.968 -16.330 -3.211 1.00 52.11 C ATOM 0 H VAL A 97 -0.935 -14.900 -1.972 1.00 70.32 H new ATOM 0 HA VAL A 97 1.809 -14.015 -2.356 1.00 75.45 H new ATOM 0 HB VAL A 97 2.258 -16.002 -1.220 1.00 64.01 H new ATOM 0 HG11 VAL A 97 1.517 -18.227 -1.974 1.00 31.22 H new ATOM 0 HG12 VAL A 97 0.177 -17.211 -1.391 1.00 31.22 H new ATOM 0 HG13 VAL A 97 0.420 -17.448 -3.138 1.00 31.22 H new ATOM 0 HG21 VAL A 97 3.485 -17.261 -2.979 1.00 52.11 H new ATOM 0 HG22 VAL A 97 2.563 -16.382 -4.222 1.00 52.11 H new ATOM 0 HG23 VAL A 97 3.670 -15.499 -3.144 1.00 52.11 H new ATOM 722 N LEU A 98 0.517 -13.483 -4.459 1.00 0.01 N ATOM 723 CA LEU A 98 -0.129 -13.217 -5.725 1.00 31.14 C ATOM 724 C LEU A 98 0.853 -13.131 -6.897 1.00 23.11 C ATOM 725 O LEU A 98 0.945 -14.055 -7.698 1.00 61.42 O ATOM 726 CB LEU A 98 -0.979 -11.939 -5.612 1.00 54.14 C ATOM 727 CG LEU A 98 -2.013 -11.917 -4.463 1.00 23.23 C ATOM 728 CD1 LEU A 98 -2.751 -10.601 -4.421 1.00 71.01 C ATOM 729 CD2 LEU A 98 -3.001 -13.067 -4.580 1.00 73.02 C ATOM 0 H LEU A 98 0.974 -12.676 -4.035 1.00 0.01 H new ATOM 0 HA LEU A 98 -0.776 -14.066 -5.947 1.00 31.14 H new ATOM 0 HB2 LEU A 98 -0.308 -11.089 -5.488 1.00 54.14 H new ATOM 0 HB3 LEU A 98 -1.508 -11.793 -6.554 1.00 54.14 H new ATOM 0 HG LEU A 98 -1.460 -12.036 -3.531 1.00 23.23 H new ATOM 0 HD11 LEU A 98 -3.472 -10.614 -3.603 1.00 71.01 H new ATOM 0 HD12 LEU A 98 -2.040 -9.790 -4.265 1.00 71.01 H new ATOM 0 HD13 LEU A 98 -3.275 -10.448 -5.364 1.00 71.01 H new ATOM 0 HD21 LEU A 98 -3.713 -13.020 -3.756 1.00 73.02 H new ATOM 0 HD22 LEU A 98 -3.536 -12.992 -5.527 1.00 73.02 H new ATOM 0 HD23 LEU A 98 -2.463 -14.014 -4.541 1.00 73.02 H new ATOM 741 N ASN A 99 1.607 -12.056 -6.952 1.00 54.43 N ATOM 742 CA ASN A 99 2.497 -11.741 -8.081 1.00 1.34 C ATOM 743 C ASN A 99 3.442 -10.632 -7.647 1.00 71.11 C ATOM 744 O ASN A 99 3.649 -10.464 -6.456 1.00 15.41 O ATOM 745 CB ASN A 99 1.663 -11.309 -9.323 1.00 43.43 C ATOM 746 CG ASN A 99 0.644 -10.198 -9.041 1.00 54.20 C ATOM 747 OD1 ASN A 99 0.813 -9.366 -8.146 1.00 54.35 O ATOM 748 ND2 ASN A 99 -0.415 -10.180 -9.795 1.00 74.25 N ATOM 0 H ASN A 99 1.630 -11.357 -6.210 1.00 54.43 H new ATOM 0 HA ASN A 99 3.073 -12.622 -8.364 1.00 1.34 H new ATOM 0 HB2 ASN A 99 2.344 -10.972 -10.105 1.00 43.43 H new ATOM 0 HB3 ASN A 99 1.136 -12.180 -9.713 1.00 43.43 H new ATOM 0 HD21 ASN A 99 -1.130 -9.466 -9.653 1.00 74.25 H new ATOM 0 HD22 ASN A 99 -0.531 -10.879 -10.528 1.00 74.25 H new ATOM 755 N SER A 100 3.976 -9.852 -8.580 1.00 33.42 N ATOM 756 CA SER A 100 4.899 -8.795 -8.233 1.00 4.51 C ATOM 757 C SER A 100 4.133 -7.477 -8.053 1.00 70.10 C ATOM 758 O SER A 100 3.142 -7.221 -8.737 1.00 75.24 O ATOM 759 CB SER A 100 5.957 -8.653 -9.319 1.00 5.23 C ATOM 760 OG SER A 100 6.578 -9.902 -9.580 1.00 62.45 O ATOM 0 H SER A 100 3.782 -9.937 -9.578 1.00 33.42 H new ATOM 0 HA SER A 100 5.396 -9.043 -7.295 1.00 4.51 H new ATOM 0 HB2 SER A 100 5.500 -8.271 -10.232 1.00 5.23 H new ATOM 0 HB3 SER A 100 6.708 -7.926 -9.010 1.00 5.23 H new ATOM 0 HG SER A 100 7.253 -9.791 -10.281 1.00 62.45 H new ATOM 766 N SER A 101 4.573 -6.684 -7.105 1.00 22.42 N ATOM 767 CA SER A 101 3.978 -5.457 -6.700 1.00 20.21 C ATOM 768 C SER A 101 5.014 -4.706 -5.885 1.00 23.14 C ATOM 769 O SER A 101 6.112 -5.247 -5.645 1.00 75.24 O ATOM 770 CB SER A 101 2.747 -5.750 -5.847 1.00 72.23 C ATOM 771 OG SER A 101 1.730 -6.391 -6.611 1.00 64.23 O ATOM 0 H SER A 101 5.412 -6.904 -6.568 1.00 22.42 H new ATOM 0 HA SER A 101 3.666 -4.864 -7.560 1.00 20.21 H new ATOM 0 HB2 SER A 101 3.027 -6.384 -5.006 1.00 72.23 H new ATOM 0 HB3 SER A 101 2.360 -4.820 -5.430 1.00 72.23 H new ATOM 0 HG SER A 101 2.031 -6.491 -7.538 1.00 64.23 H new ATOM 777 N TYR A 102 4.703 -3.500 -5.479 1.00 33.34 N ATOM 778 CA TYR A 102 5.607 -2.692 -4.688 1.00 73.12 C ATOM 779 C TYR A 102 5.044 -2.448 -3.305 1.00 4.45 C ATOM 780 O TYR A 102 3.829 -2.271 -3.132 1.00 42.41 O ATOM 781 CB TYR A 102 5.858 -1.353 -5.344 1.00 12.04 C ATOM 782 CG TYR A 102 6.921 -1.271 -6.408 1.00 41.12 C ATOM 783 CD1 TYR A 102 7.284 -2.354 -7.191 1.00 53.12 C ATOM 784 CD2 TYR A 102 7.547 -0.062 -6.638 1.00 4.10 C ATOM 785 CE1 TYR A 102 8.249 -2.225 -8.168 1.00 61.20 C ATOM 786 CE2 TYR A 102 8.509 0.071 -7.606 1.00 41.35 C ATOM 787 CZ TYR A 102 8.859 -1.006 -8.367 1.00 54.51 C ATOM 788 OH TYR A 102 9.813 -0.861 -9.352 1.00 50.41 O ATOM 0 H TYR A 102 3.813 -3.047 -5.687 1.00 33.34 H new ATOM 0 HA TYR A 102 6.544 -3.243 -4.613 1.00 73.12 H new ATOM 0 HB2 TYR A 102 4.919 -1.017 -5.784 1.00 12.04 H new ATOM 0 HB3 TYR A 102 6.116 -0.641 -4.560 1.00 12.04 H new ATOM 0 HD1 TYR A 102 6.806 -3.310 -7.035 1.00 53.12 H new ATOM 0 HD2 TYR A 102 7.273 0.797 -6.043 1.00 4.10 H new ATOM 0 HE1 TYR A 102 8.525 -3.075 -8.774 1.00 61.20 H new ATOM 0 HE2 TYR A 102 8.988 1.026 -7.766 1.00 41.35 H new ATOM 0 HH TYR A 102 10.140 0.063 -9.357 1.00 50.41 H new ATOM 798 N VAL A 103 5.917 -2.438 -2.335 1.00 22.41 N ATOM 799 CA VAL A 103 5.558 -2.195 -0.962 1.00 31.03 C ATOM 800 C VAL A 103 6.493 -1.134 -0.369 1.00 63.10 C ATOM 801 O VAL A 103 7.671 -1.095 -0.678 1.00 42.14 O ATOM 802 CB VAL A 103 5.651 -3.529 -0.133 1.00 42.52 C ATOM 803 CG1 VAL A 103 7.011 -4.063 -0.154 1.00 71.11 C ATOM 804 CG2 VAL A 103 5.228 -3.390 1.297 1.00 22.01 C ATOM 0 H VAL A 103 6.914 -2.601 -2.477 1.00 22.41 H new ATOM 0 HA VAL A 103 4.531 -1.832 -0.917 1.00 31.03 H new ATOM 0 HB VAL A 103 4.954 -4.209 -0.622 1.00 42.52 H new ATOM 0 HG11 VAL A 103 7.049 -4.985 0.426 1.00 71.11 H new ATOM 0 HG12 VAL A 103 7.305 -4.269 -1.183 1.00 71.11 H new ATOM 0 HG13 VAL A 103 7.695 -3.333 0.279 1.00 71.11 H new ATOM 0 HG21 VAL A 103 5.321 -4.353 1.799 1.00 22.01 H new ATOM 0 HG22 VAL A 103 5.864 -2.658 1.795 1.00 22.01 H new ATOM 0 HG23 VAL A 103 4.191 -3.058 1.339 1.00 22.01 H new ATOM 814 N CYS A 104 5.962 -0.261 0.427 1.00 64.41 N ATOM 815 CA CYS A 104 6.785 0.693 1.138 1.00 42.44 C ATOM 816 C CYS A 104 7.293 -0.036 2.325 1.00 63.22 C ATOM 817 O CYS A 104 6.530 -0.318 3.191 1.00 73.14 O ATOM 818 CB CYS A 104 5.924 1.914 1.568 1.00 24.44 C ATOM 819 SG CYS A 104 6.710 3.209 2.707 1.00 50.43 S ATOM 0 H CYS A 104 4.961 -0.181 0.608 1.00 64.41 H new ATOM 0 HA CYS A 104 7.601 1.076 0.525 1.00 42.44 H new ATOM 0 HB2 CYS A 104 5.594 2.424 0.663 1.00 24.44 H new ATOM 0 HB3 CYS A 104 5.031 1.533 2.063 1.00 24.44 H new ATOM 0 HG CYS A 104 6.131 3.173 3.870 1.00 50.43 H new ATOM 824 N VAL A 105 8.556 -0.422 2.324 1.00 61.32 N ATOM 825 CA VAL A 105 9.160 -1.162 3.447 1.00 12.24 C ATOM 826 C VAL A 105 9.027 -0.375 4.724 1.00 41.42 C ATOM 827 O VAL A 105 8.860 -0.936 5.800 1.00 50.43 O ATOM 828 CB VAL A 105 10.657 -1.413 3.245 1.00 10.42 C ATOM 829 CG1 VAL A 105 11.000 -2.811 3.543 1.00 54.41 C ATOM 830 CG2 VAL A 105 11.117 -1.049 1.880 1.00 44.24 C ATOM 0 H VAL A 105 9.200 -0.239 1.554 1.00 61.32 H new ATOM 0 HA VAL A 105 8.630 -2.113 3.497 1.00 12.24 H new ATOM 0 HB VAL A 105 11.179 -0.762 3.946 1.00 10.42 H new ATOM 0 HG11 VAL A 105 12.069 -2.964 3.392 1.00 54.41 H new ATOM 0 HG12 VAL A 105 10.744 -3.036 4.578 1.00 54.41 H new ATOM 0 HG13 VAL A 105 10.442 -3.472 2.880 1.00 54.41 H new ATOM 0 HG21 VAL A 105 12.185 -1.247 1.791 1.00 44.24 H new ATOM 0 HG22 VAL A 105 10.576 -1.642 1.143 1.00 44.24 H new ATOM 0 HG23 VAL A 105 10.928 0.010 1.703 1.00 44.24 H new ATOM 840 N GLU A 106 9.047 0.929 4.568 1.00 61.13 N ATOM 841 CA GLU A 106 8.989 1.867 5.666 1.00 22.23 C ATOM 842 C GLU A 106 7.673 1.722 6.403 1.00 2.44 C ATOM 843 O GLU A 106 7.601 1.848 7.613 1.00 71.34 O ATOM 844 CB GLU A 106 9.092 3.298 5.134 1.00 44.53 C ATOM 845 CG GLU A 106 10.220 3.537 4.140 1.00 3.35 C ATOM 846 CD GLU A 106 11.593 3.424 4.737 1.00 1.02 C ATOM 847 OE1 GLU A 106 11.775 2.678 5.722 1.00 1.13 O ATOM 848 OE2 GLU A 106 12.512 4.053 4.204 1.00 4.21 O ATOM 0 H GLU A 106 9.105 1.377 3.654 1.00 61.13 H new ATOM 0 HA GLU A 106 9.818 1.659 6.343 1.00 22.23 H new ATOM 0 HB2 GLU A 106 8.147 3.561 4.658 1.00 44.53 H new ATOM 0 HB3 GLU A 106 9.223 3.975 5.978 1.00 44.53 H new ATOM 0 HG2 GLU A 106 10.130 2.820 3.324 1.00 3.35 H new ATOM 0 HG3 GLU A 106 10.104 4.530 3.706 1.00 3.35 H new ATOM 855 N CYS A 107 6.640 1.473 5.650 1.00 33.22 N ATOM 856 CA CYS A 107 5.305 1.344 6.222 1.00 3.15 C ATOM 857 C CYS A 107 4.865 -0.106 6.265 1.00 3.13 C ATOM 858 O CYS A 107 3.992 -0.476 7.037 1.00 33.22 O ATOM 859 CB CYS A 107 4.344 2.119 5.351 1.00 12.10 C ATOM 860 SG CYS A 107 4.901 3.825 5.005 1.00 61.24 S ATOM 0 H CYS A 107 6.683 1.353 4.638 1.00 33.22 H new ATOM 0 HA CYS A 107 5.317 1.729 7.242 1.00 3.15 H new ATOM 0 HB2 CYS A 107 4.210 1.589 4.408 1.00 12.10 H new ATOM 0 HB3 CYS A 107 3.369 2.154 5.838 1.00 12.10 H new ATOM 0 HG CYS A 107 5.065 3.977 3.724 1.00 61.24 H new ATOM 865 N ASN A 108 5.545 -0.904 5.482 1.00 14.12 N ATOM 866 CA ASN A 108 5.164 -2.258 5.161 1.00 70.22 C ATOM 867 C ASN A 108 3.735 -2.328 4.636 1.00 50.21 C ATOM 868 O ASN A 108 2.852 -2.926 5.242 1.00 63.12 O ATOM 869 CB ASN A 108 5.453 -3.242 6.286 1.00 53.33 C ATOM 870 CG ASN A 108 6.900 -3.693 6.352 1.00 43.55 C ATOM 871 OD1 ASN A 108 7.536 -3.840 5.216 1.00 41.12 O flip ATOM 872 ND2 ASN A 108 7.436 -3.943 7.426 1.00 11.02 N flip ATOM 0 H ASN A 108 6.414 -0.618 5.032 1.00 14.12 H new ATOM 0 HA ASN A 108 5.806 -2.585 4.343 1.00 70.22 H new ATOM 0 HB2 ASN A 108 5.182 -2.782 7.236 1.00 53.33 H new ATOM 0 HB3 ASN A 108 4.815 -4.117 6.163 1.00 53.33 H new ATOM 0 HD21 ASN A 108 6.918 -3.820 8.296 1.00 11.02 H new ATOM 0 HD22 ASN A 108 8.400 -4.274 7.450 1.00 11.02 H new ATOM 879 N PHE A 109 3.523 -1.700 3.482 1.00 34.33 N ATOM 880 CA PHE A 109 2.197 -1.657 2.874 1.00 34.41 C ATOM 881 C PHE A 109 2.323 -1.929 1.393 1.00 5.20 C ATOM 882 O PHE A 109 3.127 -1.279 0.698 1.00 53.43 O ATOM 883 CB PHE A 109 1.447 -0.306 3.152 1.00 51.54 C ATOM 884 CG PHE A 109 1.405 0.715 2.012 1.00 31.53 C ATOM 885 CD1 PHE A 109 0.373 0.685 1.091 1.00 32.14 C ATOM 886 CD2 PHE A 109 2.369 1.691 1.883 1.00 53.22 C ATOM 887 CE1 PHE A 109 0.299 1.611 0.061 1.00 45.13 C ATOM 888 CE2 PHE A 109 2.302 2.625 0.841 1.00 22.21 C ATOM 889 CZ PHE A 109 1.265 2.578 -0.064 1.00 15.53 C ATOM 0 H PHE A 109 4.248 -1.217 2.952 1.00 34.33 H new ATOM 0 HA PHE A 109 1.585 -2.432 3.334 1.00 34.41 H new ATOM 0 HB2 PHE A 109 0.421 -0.541 3.434 1.00 51.54 H new ATOM 0 HB3 PHE A 109 1.914 0.169 4.015 1.00 51.54 H new ATOM 0 HD1 PHE A 109 -0.390 -0.075 1.176 1.00 32.14 H new ATOM 0 HD2 PHE A 109 3.183 1.736 2.591 1.00 53.22 H new ATOM 0 HE1 PHE A 109 -0.519 1.571 -0.643 1.00 45.13 H new ATOM 0 HE2 PHE A 109 3.065 3.383 0.747 1.00 22.21 H new ATOM 0 HZ PHE A 109 1.212 3.298 -0.867 1.00 15.53 H new ATOM 899 N LEU A 110 1.592 -2.898 0.932 1.00 33.40 N ATOM 900 CA LEU A 110 1.625 -3.316 -0.447 1.00 52.22 C ATOM 901 C LEU A 110 0.514 -2.676 -1.198 1.00 13.24 C ATOM 902 O LEU A 110 -0.607 -2.695 -0.751 1.00 2.15 O ATOM 903 CB LEU A 110 1.468 -4.828 -0.547 1.00 71.34 C ATOM 904 CG LEU A 110 2.720 -5.636 -0.822 1.00 43.05 C ATOM 905 CD1 LEU A 110 2.391 -7.108 -0.715 1.00 31.12 C ATOM 906 CD2 LEU A 110 3.251 -5.327 -2.224 1.00 44.30 C ATOM 0 H LEU A 110 0.943 -3.433 1.509 1.00 33.40 H new ATOM 0 HA LEU A 110 2.584 -3.018 -0.870 1.00 52.22 H new ATOM 0 HB2 LEU A 110 1.033 -5.185 0.387 1.00 71.34 H new ATOM 0 HB3 LEU A 110 0.747 -5.042 -1.336 1.00 71.34 H new ATOM 0 HG LEU A 110 3.486 -5.374 -0.092 1.00 43.05 H new ATOM 0 HD11 LEU A 110 3.287 -7.696 -0.912 1.00 31.12 H new ATOM 0 HD12 LEU A 110 2.026 -7.327 0.288 1.00 31.12 H new ATOM 0 HD13 LEU A 110 1.622 -7.363 -1.445 1.00 31.12 H new ATOM 0 HD21 LEU A 110 4.151 -5.914 -2.410 1.00 44.30 H new ATOM 0 HD22 LEU A 110 2.493 -5.581 -2.965 1.00 44.30 H new ATOM 0 HD23 LEU A 110 3.488 -4.266 -2.297 1.00 44.30 H new ATOM 918 N THR A 111 0.820 -2.147 -2.326 1.00 22.31 N ATOM 919 CA THR A 111 -0.148 -1.531 -3.168 1.00 54.44 C ATOM 920 C THR A 111 -0.016 -2.117 -4.571 1.00 1.11 C ATOM 921 O THR A 111 1.042 -2.662 -4.932 1.00 44.01 O ATOM 922 CB THR A 111 0.001 0.013 -3.136 1.00 20.42 C ATOM 923 OG1 THR A 111 -0.843 0.669 -4.115 1.00 51.41 O ATOM 924 CG2 THR A 111 1.457 0.419 -3.297 1.00 71.23 C ATOM 0 H THR A 111 1.769 -2.128 -2.701 1.00 22.31 H new ATOM 0 HA THR A 111 -1.156 -1.739 -2.809 1.00 54.44 H new ATOM 0 HB THR A 111 -0.340 0.349 -2.157 1.00 20.42 H new ATOM 0 HG1 THR A 111 -1.610 1.078 -3.663 1.00 51.41 H new ATOM 0 HG21 THR A 111 1.537 1.506 -3.271 1.00 71.23 H new ATOM 0 HG22 THR A 111 2.046 -0.007 -2.485 1.00 71.23 H new ATOM 0 HG23 THR A 111 1.834 0.050 -4.251 1.00 71.23 H new ATOM 932 N LYS A 112 -1.085 -2.058 -5.336 1.00 24.05 N ATOM 933 CA LYS A 112 -1.135 -2.690 -6.636 1.00 31.52 C ATOM 934 C LYS A 112 -0.333 -1.908 -7.672 1.00 24.41 C ATOM 935 O LYS A 112 0.225 -2.492 -8.601 1.00 41.23 O ATOM 936 CB LYS A 112 -2.596 -2.872 -7.078 1.00 31.12 C ATOM 937 CG LYS A 112 -2.782 -3.727 -8.323 1.00 43.24 C ATOM 938 CD LYS A 112 -4.256 -3.909 -8.644 1.00 45.11 C ATOM 939 CE LYS A 112 -4.463 -4.834 -9.833 1.00 22.55 C ATOM 940 NZ LYS A 112 -5.895 -5.025 -10.148 1.00 63.33 N ATOM 0 H LYS A 112 -1.942 -1.571 -5.074 1.00 24.05 H new ATOM 0 HA LYS A 112 -0.673 -3.674 -6.556 1.00 31.52 H new ATOM 0 HB2 LYS A 112 -3.156 -3.322 -6.258 1.00 31.12 H new ATOM 0 HB3 LYS A 112 -3.031 -1.889 -7.260 1.00 31.12 H new ATOM 0 HG2 LYS A 112 -2.277 -3.259 -9.168 1.00 43.24 H new ATOM 0 HG3 LYS A 112 -2.316 -4.701 -8.173 1.00 43.24 H new ATOM 0 HD2 LYS A 112 -4.771 -4.315 -7.773 1.00 45.11 H new ATOM 0 HD3 LYS A 112 -4.705 -2.938 -8.856 1.00 45.11 H new ATOM 0 HE2 LYS A 112 -3.953 -4.423 -10.704 1.00 22.55 H new ATOM 0 HE3 LYS A 112 -4.007 -5.801 -9.623 1.00 22.55 H new ATOM 0 HZ1 LYS A 112 -5.989 -5.662 -10.965 1.00 63.33 H new ATOM 0 HZ2 LYS A 112 -6.379 -5.441 -9.327 1.00 63.33 H new ATOM 0 HZ3 LYS A 112 -6.326 -4.106 -10.375 1.00 63.33 H new ATOM 954 N ARG A 113 -0.232 -0.613 -7.499 1.00 12.52 N ATOM 955 CA ARG A 113 0.488 0.184 -8.472 1.00 75.20 C ATOM 956 C ARG A 113 1.755 0.746 -7.852 1.00 0.34 C ATOM 957 O ARG A 113 1.755 1.143 -6.684 1.00 52.10 O ATOM 958 CB ARG A 113 -0.370 1.326 -9.083 1.00 71.32 C ATOM 959 CG ARG A 113 -0.664 2.534 -8.181 1.00 23.33 C ATOM 960 CD ARG A 113 -1.650 2.248 -7.072 1.00 14.53 C ATOM 961 NE ARG A 113 -2.968 1.888 -7.591 1.00 24.52 N ATOM 962 CZ ARG A 113 -4.106 1.977 -6.901 1.00 32.24 C ATOM 963 NH1 ARG A 113 -4.074 2.318 -5.630 1.00 4.40 N ATOM 964 NH2 ARG A 113 -5.253 1.678 -7.464 1.00 5.34 N ATOM 0 H ARG A 113 -0.627 -0.094 -6.715 1.00 12.52 H new ATOM 0 HA ARG A 113 0.745 -0.482 -9.295 1.00 75.20 H new ATOM 0 HB2 ARG A 113 0.135 1.687 -9.979 1.00 71.32 H new ATOM 0 HB3 ARG A 113 -1.322 0.901 -9.402 1.00 71.32 H new ATOM 0 HG2 ARG A 113 0.271 2.882 -7.741 1.00 23.33 H new ATOM 0 HG3 ARG A 113 -1.050 3.348 -8.795 1.00 23.33 H new ATOM 0 HD2 ARG A 113 -1.271 1.437 -6.450 1.00 14.53 H new ATOM 0 HD3 ARG A 113 -1.740 3.125 -6.431 1.00 14.53 H new ATOM 0 HE ARG A 113 -3.021 1.544 -8.550 1.00 24.52 H new ATOM 0 HH11 ARG A 113 -3.181 2.513 -5.177 1.00 4.40 H new ATOM 0 HH12 ARG A 113 -4.942 2.387 -5.099 1.00 4.40 H new ATOM 0 HH21 ARG A 113 -5.280 1.374 -8.437 1.00 5.34 H new ATOM 0 HH22 ARG A 113 -6.118 1.749 -6.928 1.00 5.34 H new ATOM 978 N TYR A 114 2.820 0.824 -8.641 1.00 72.30 N ATOM 979 CA TYR A 114 4.117 1.320 -8.159 1.00 35.50 C ATOM 980 C TYR A 114 4.031 2.819 -7.840 1.00 45.50 C ATOM 981 O TYR A 114 4.843 3.371 -7.099 1.00 64.43 O ATOM 982 CB TYR A 114 5.224 1.074 -9.214 1.00 40.33 C ATOM 983 CG TYR A 114 5.149 1.975 -10.442 1.00 65.02 C ATOM 984 CD1 TYR A 114 4.230 1.744 -11.453 1.00 64.40 C ATOM 985 CD2 TYR A 114 5.999 3.075 -10.567 1.00 2.13 C ATOM 986 CE1 TYR A 114 4.160 2.574 -12.551 1.00 5.55 C ATOM 987 CE2 TYR A 114 5.931 3.910 -11.662 1.00 22.43 C ATOM 988 CZ TYR A 114 5.012 3.655 -12.651 1.00 12.33 C ATOM 989 OH TYR A 114 4.935 4.487 -13.752 1.00 13.33 O ATOM 0 H TYR A 114 2.817 0.550 -9.624 1.00 72.30 H new ATOM 0 HA TYR A 114 4.371 0.775 -7.250 1.00 35.50 H new ATOM 0 HB2 TYR A 114 6.196 1.211 -8.739 1.00 40.33 H new ATOM 0 HB3 TYR A 114 5.172 0.035 -9.539 1.00 40.33 H new ATOM 0 HD1 TYR A 114 3.559 0.901 -11.379 1.00 64.40 H new ATOM 0 HD2 TYR A 114 6.723 3.276 -9.792 1.00 2.13 H new ATOM 0 HE1 TYR A 114 3.440 2.379 -13.332 1.00 5.55 H new ATOM 0 HE2 TYR A 114 6.595 4.758 -11.742 1.00 22.43 H new ATOM 0 HH TYR A 114 5.602 5.201 -13.670 1.00 13.33 H new ATOM 999 N ASP A 115 3.018 3.451 -8.399 1.00 34.31 N ATOM 1000 CA ASP A 115 2.807 4.885 -8.294 1.00 54.00 C ATOM 1001 C ASP A 115 2.600 5.308 -6.876 1.00 21.25 C ATOM 1002 O ASP A 115 3.136 6.299 -6.474 1.00 74.41 O ATOM 1003 CB ASP A 115 1.609 5.319 -9.123 1.00 4.31 C ATOM 1004 CG ASP A 115 1.661 4.815 -10.539 1.00 12.34 C ATOM 1005 OD1 ASP A 115 2.273 5.449 -11.396 1.00 14.32 O ATOM 1006 OD2 ASP A 115 1.056 3.762 -10.813 1.00 22.01 O ATOM 0 H ASP A 115 2.304 2.975 -8.950 1.00 34.31 H new ATOM 0 HA ASP A 115 3.707 5.367 -8.676 1.00 54.00 H new ATOM 0 HB2 ASP A 115 0.696 4.959 -8.648 1.00 4.31 H new ATOM 0 HB3 ASP A 115 1.556 6.408 -9.132 1.00 4.31 H new ATOM 1011 N ALA A 116 1.899 4.497 -6.090 1.00 55.53 N ATOM 1012 CA ALA A 116 1.559 4.850 -4.703 1.00 60.45 C ATOM 1013 C ALA A 116 2.814 5.012 -3.854 1.00 10.52 C ATOM 1014 O ALA A 116 2.818 5.732 -2.868 1.00 42.03 O ATOM 1015 CB ALA A 116 0.653 3.791 -4.128 1.00 21.15 C ATOM 0 H ALA A 116 1.551 3.585 -6.386 1.00 55.53 H new ATOM 0 HA ALA A 116 1.039 5.808 -4.698 1.00 60.45 H new ATOM 0 HB1 ALA A 116 0.399 4.049 -3.100 1.00 21.15 H new ATOM 0 HB2 ALA A 116 -0.258 3.730 -4.723 1.00 21.15 H new ATOM 0 HB3 ALA A 116 1.163 2.828 -4.145 1.00 21.15 H new ATOM 1021 N LEU A 117 3.868 4.352 -4.265 1.00 3.23 N ATOM 1022 CA LEU A 117 5.157 4.426 -3.601 1.00 51.11 C ATOM 1023 C LEU A 117 5.923 5.647 -4.069 1.00 34.51 C ATOM 1024 O LEU A 117 6.742 6.196 -3.355 1.00 23.23 O ATOM 1025 CB LEU A 117 6.002 3.185 -3.872 1.00 44.21 C ATOM 1026 CG LEU A 117 5.411 1.840 -3.500 1.00 63.41 C ATOM 1027 CD1 LEU A 117 4.839 1.855 -2.101 1.00 12.02 C ATOM 1028 CD2 LEU A 117 4.391 1.408 -4.505 1.00 41.04 C ATOM 0 H LEU A 117 3.861 3.739 -5.080 1.00 3.23 H new ATOM 0 HA LEU A 117 4.962 4.493 -2.531 1.00 51.11 H new ATOM 0 HB2 LEU A 117 6.239 3.165 -4.936 1.00 44.21 H new ATOM 0 HB3 LEU A 117 6.945 3.297 -3.337 1.00 44.21 H new ATOM 0 HG LEU A 117 6.218 1.107 -3.510 1.00 63.41 H new ATOM 0 HD11 LEU A 117 4.424 0.875 -1.867 1.00 12.02 H new ATOM 0 HD12 LEU A 117 5.628 2.094 -1.388 1.00 12.02 H new ATOM 0 HD13 LEU A 117 4.052 2.607 -2.038 1.00 12.02 H new ATOM 0 HD21 LEU A 117 3.982 0.440 -4.215 1.00 41.04 H new ATOM 0 HD22 LEU A 117 3.588 2.143 -4.547 1.00 41.04 H new ATOM 0 HD23 LEU A 117 4.859 1.325 -5.486 1.00 41.04 H new ATOM 1040 N SER A 118 5.653 6.044 -5.274 1.00 22.42 N ATOM 1041 CA SER A 118 6.320 7.165 -5.894 1.00 42.20 C ATOM 1042 C SER A 118 5.733 8.455 -5.329 1.00 1.41 C ATOM 1043 O SER A 118 6.441 9.430 -5.084 1.00 75.43 O ATOM 1044 CB SER A 118 6.101 7.097 -7.401 1.00 52.42 C ATOM 1045 OG SER A 118 7.071 7.845 -8.122 1.00 14.30 O ATOM 0 H SER A 118 4.955 5.598 -5.869 1.00 22.42 H new ATOM 0 HA SER A 118 7.390 7.138 -5.690 1.00 42.20 H new ATOM 0 HB2 SER A 118 6.134 6.056 -7.724 1.00 52.42 H new ATOM 0 HB3 SER A 118 5.106 7.473 -7.638 1.00 52.42 H new ATOM 0 HG SER A 118 6.893 7.771 -9.083 1.00 14.30 H new ATOM 1051 N GLU A 119 4.427 8.449 -5.143 1.00 73.31 N ATOM 1052 CA GLU A 119 3.731 9.589 -4.530 1.00 11.11 C ATOM 1053 C GLU A 119 3.943 9.551 -3.029 1.00 64.51 C ATOM 1054 O GLU A 119 3.752 10.526 -2.342 1.00 73.24 O ATOM 1055 CB GLU A 119 2.230 9.556 -4.792 1.00 75.20 C ATOM 1056 CG GLU A 119 1.847 8.846 -6.061 1.00 44.41 C ATOM 1057 CD GLU A 119 0.364 8.884 -6.381 1.00 3.22 C ATOM 1058 OE1 GLU A 119 -0.438 8.317 -5.622 1.00 51.14 O ATOM 1059 OE2 GLU A 119 -0.024 9.402 -7.445 1.00 62.55 O ATOM 0 H GLU A 119 3.818 7.673 -5.404 1.00 73.31 H new ATOM 0 HA GLU A 119 4.141 10.497 -4.972 1.00 11.11 H new ATOM 0 HB2 GLU A 119 1.735 9.069 -3.952 1.00 75.20 H new ATOM 0 HB3 GLU A 119 1.856 10.579 -4.833 1.00 75.20 H new ATOM 0 HG2 GLU A 119 2.396 9.291 -6.891 1.00 44.41 H new ATOM 0 HG3 GLU A 119 2.164 7.805 -5.990 1.00 44.41 H new ATOM 1066 N HIS A 120 4.282 8.395 -2.539 1.00 65.24 N ATOM 1067 CA HIS A 120 4.455 8.141 -1.110 1.00 41.53 C ATOM 1068 C HIS A 120 5.385 9.172 -0.449 1.00 32.33 C ATOM 1069 O HIS A 120 4.980 9.860 0.399 1.00 22.40 O ATOM 1070 CB HIS A 120 4.967 6.746 -0.911 1.00 43.24 C ATOM 1071 CG HIS A 120 4.654 6.149 0.384 1.00 54.32 C ATOM 1072 ND1 HIS A 120 3.383 5.874 0.817 1.00 24.03 N ATOM 1073 CD2 HIS A 120 5.461 5.780 1.343 1.00 13.34 C ATOM 1074 CE1 HIS A 120 3.463 5.360 2.037 1.00 61.55 C ATOM 1075 NE2 HIS A 120 4.728 5.273 2.417 1.00 15.15 N ATOM 0 H HIS A 120 4.453 7.575 -3.121 1.00 65.24 H new ATOM 0 HA HIS A 120 3.485 8.242 -0.624 1.00 41.53 H new ATOM 0 HB2 HIS A 120 4.557 6.110 -1.695 1.00 43.24 H new ATOM 0 HB3 HIS A 120 6.049 6.751 -1.039 1.00 43.24 H new ATOM 0 HD1 HIS A 120 2.524 6.037 0.292 1.00 24.03 H new ATOM 0 HD2 HIS A 120 6.538 5.856 1.310 1.00 13.34 H new ATOM 0 HE1 HIS A 120 2.617 5.056 2.635 1.00 61.55 H new ATOM 1083 N ASN A 121 6.590 9.291 -0.888 1.00 63.44 N ATOM 1084 CA ASN A 121 7.551 10.305 -0.380 1.00 54.15 C ATOM 1085 C ASN A 121 7.137 11.724 -0.761 1.00 60.13 C ATOM 1086 O ASN A 121 7.692 12.705 -0.303 1.00 42.35 O ATOM 1087 CB ASN A 121 8.993 9.978 -0.750 1.00 73.24 C ATOM 1088 CG ASN A 121 9.250 9.806 -2.222 1.00 61.12 C ATOM 1089 OD1 ASN A 121 8.370 9.480 -3.005 1.00 54.03 O ATOM 1090 ND2 ASN A 121 10.468 9.912 -2.578 1.00 40.25 N ATOM 0 H ASN A 121 6.976 8.695 -1.620 1.00 63.44 H new ATOM 0 HA ASN A 121 7.514 10.262 0.709 1.00 54.15 H new ATOM 0 HB2 ASN A 121 9.637 10.773 -0.375 1.00 73.24 H new ATOM 0 HB3 ASN A 121 9.285 9.062 -0.236 1.00 73.24 H new ATOM 0 HD21 ASN A 121 10.735 9.722 -3.544 1.00 40.25 H new ATOM 0 HD22 ASN A 121 11.176 10.187 -1.897 1.00 40.25 H new ATOM 1097 N LEU A 122 6.244 11.818 -1.685 1.00 42.02 N ATOM 1098 CA LEU A 122 5.710 13.081 -2.093 1.00 23.11 C ATOM 1099 C LEU A 122 4.696 13.584 -1.036 1.00 32.42 C ATOM 1100 O LEU A 122 4.804 14.711 -0.529 1.00 63.41 O ATOM 1101 CB LEU A 122 5.107 12.926 -3.521 1.00 21.51 C ATOM 1102 CG LEU A 122 3.956 13.842 -3.949 1.00 71.04 C ATOM 1103 CD1 LEU A 122 4.334 15.316 -3.859 1.00 73.21 C ATOM 1104 CD2 LEU A 122 3.530 13.502 -5.368 1.00 32.23 C ATOM 0 H LEU A 122 5.858 11.017 -2.185 1.00 42.02 H new ATOM 0 HA LEU A 122 6.486 13.844 -2.152 1.00 23.11 H new ATOM 0 HB2 LEU A 122 5.918 13.062 -4.236 1.00 21.51 H new ATOM 0 HB3 LEU A 122 4.762 11.897 -3.622 1.00 21.51 H new ATOM 0 HG LEU A 122 3.126 13.674 -3.262 1.00 71.04 H new ATOM 0 HD11 LEU A 122 3.488 15.928 -4.172 1.00 73.21 H new ATOM 0 HD12 LEU A 122 4.599 15.562 -2.831 1.00 73.21 H new ATOM 0 HD13 LEU A 122 5.185 15.514 -4.510 1.00 73.21 H new ATOM 0 HD21 LEU A 122 2.711 14.156 -5.669 1.00 32.23 H new ATOM 0 HD22 LEU A 122 4.373 13.642 -6.044 1.00 32.23 H new ATOM 0 HD23 LEU A 122 3.200 12.464 -5.410 1.00 32.23 H new ATOM 1116 N LYS A 123 3.744 12.748 -0.699 1.00 25.41 N ATOM 1117 CA LYS A 123 2.682 13.121 0.229 1.00 43.13 C ATOM 1118 C LYS A 123 2.780 12.479 1.610 1.00 51.34 C ATOM 1119 O LYS A 123 2.573 13.130 2.624 1.00 12.23 O ATOM 1120 CB LYS A 123 1.299 12.949 -0.409 1.00 45.52 C ATOM 1121 CG LYS A 123 1.237 11.955 -1.551 1.00 51.55 C ATOM 1122 CD LYS A 123 -0.085 12.051 -2.303 1.00 11.11 C ATOM 1123 CE LYS A 123 -1.290 11.834 -1.392 1.00 54.41 C ATOM 1124 NZ LYS A 123 -2.568 11.984 -2.116 1.00 4.55 N ATOM 0 H LYS A 123 3.675 11.794 -1.053 1.00 25.41 H new ATOM 0 HA LYS A 123 2.830 14.182 0.427 1.00 43.13 H new ATOM 0 HB2 LYS A 123 0.596 12.636 0.363 1.00 45.52 H new ATOM 0 HB3 LYS A 123 0.961 13.919 -0.773 1.00 45.52 H new ATOM 0 HG2 LYS A 123 2.062 12.138 -2.239 1.00 51.55 H new ATOM 0 HG3 LYS A 123 1.363 10.944 -1.163 1.00 51.55 H new ATOM 0 HD2 LYS A 123 -0.161 13.031 -2.774 1.00 11.11 H new ATOM 0 HD3 LYS A 123 -0.100 11.310 -3.103 1.00 11.11 H new ATOM 0 HE2 LYS A 123 -1.237 10.838 -0.953 1.00 54.41 H new ATOM 0 HE3 LYS A 123 -1.254 12.547 -0.569 1.00 54.41 H new ATOM 0 HZ1 LYS A 123 -3.359 11.828 -1.459 1.00 4.55 H new ATOM 0 HZ2 LYS A 123 -2.631 12.943 -2.513 1.00 4.55 H new ATOM 0 HZ3 LYS A 123 -2.615 11.286 -2.886 1.00 4.55 H new ATOM 1138 N TYR A 124 3.108 11.228 1.619 1.00 34.13 N ATOM 1139 CA TYR A 124 3.160 10.407 2.835 1.00 74.25 C ATOM 1140 C TYR A 124 4.449 10.632 3.601 1.00 1.23 C ATOM 1141 O TYR A 124 4.412 10.916 4.800 1.00 40.40 O ATOM 1142 CB TYR A 124 3.033 8.930 2.482 1.00 23.20 C ATOM 1143 CG TYR A 124 1.712 8.512 1.891 1.00 62.03 C ATOM 1144 CD1 TYR A 124 1.230 9.089 0.736 1.00 51.21 C ATOM 1145 CD2 TYR A 124 0.966 7.513 2.475 1.00 32.43 C ATOM 1146 CE1 TYR A 124 0.046 8.701 0.192 1.00 41.44 C ATOM 1147 CE2 TYR A 124 -0.218 7.113 1.936 1.00 30.04 C ATOM 1148 CZ TYR A 124 -0.676 7.703 0.798 1.00 1.50 C ATOM 1149 OH TYR A 124 -1.874 7.318 0.283 1.00 15.34 O ATOM 0 H TYR A 124 3.357 10.715 0.773 1.00 34.13 H new ATOM 0 HA TYR A 124 2.325 10.706 3.468 1.00 74.25 H new ATOM 0 HB2 TYR A 124 3.823 8.675 1.776 1.00 23.20 H new ATOM 0 HB3 TYR A 124 3.209 8.343 3.384 1.00 23.20 H new ATOM 0 HD1 TYR A 124 1.805 9.865 0.253 1.00 51.21 H new ATOM 0 HD2 TYR A 124 1.326 7.039 3.376 1.00 32.43 H new ATOM 0 HE1 TYR A 124 -0.322 9.173 -0.707 1.00 41.44 H new ATOM 0 HE2 TYR A 124 -0.792 6.330 2.409 1.00 30.04 H new ATOM 0 HH TYR A 124 -2.445 6.977 1.003 1.00 15.34 H new ATOM 1159 N HIS A 125 5.592 10.484 2.916 1.00 15.04 N ATOM 1160 CA HIS A 125 6.904 10.766 3.545 1.00 64.31 C ATOM 1161 C HIS A 125 7.568 11.963 2.837 1.00 31.34 C ATOM 1162 O HIS A 125 8.526 11.780 2.132 1.00 50.14 O ATOM 1163 CB HIS A 125 7.890 9.565 3.445 1.00 43.34 C ATOM 1164 CG HIS A 125 7.511 8.247 4.079 1.00 64.30 C ATOM 1165 ND1 HIS A 125 8.043 7.758 5.258 1.00 71.43 N ATOM 1166 CD2 HIS A 125 6.772 7.262 3.581 1.00 0.50 C ATOM 1167 CE1 HIS A 125 7.623 6.501 5.427 1.00 31.22 C ATOM 1168 NE2 HIS A 125 6.825 6.117 4.405 1.00 14.14 N ATOM 0 H HIS A 125 5.643 10.177 1.945 1.00 15.04 H new ATOM 0 HA HIS A 125 6.706 10.971 4.597 1.00 64.31 H new ATOM 0 HB2 HIS A 125 8.075 9.379 2.387 1.00 43.34 H new ATOM 0 HB3 HIS A 125 8.837 9.880 3.884 1.00 43.34 H new ATOM 0 HD1 HIS A 125 8.654 8.271 5.893 1.00 71.43 H new ATOM 0 HD2 HIS A 125 6.204 7.328 2.665 1.00 0.50 H new ATOM 0 HE1 HIS A 125 7.886 5.875 6.267 1.00 31.22 H new ATOM 1176 N PRO A 126 7.049 13.178 2.994 1.00 1.30 N ATOM 1177 CA PRO A 126 7.553 14.357 2.276 1.00 25.20 C ATOM 1178 C PRO A 126 8.888 14.888 2.787 1.00 11.45 C ATOM 1179 O PRO A 126 9.211 14.785 3.987 1.00 65.53 O ATOM 1180 CB PRO A 126 6.460 15.382 2.497 1.00 32.02 C ATOM 1181 CG PRO A 126 5.892 15.000 3.818 1.00 34.04 C ATOM 1182 CD PRO A 126 5.935 13.518 3.863 1.00 63.35 C ATOM 0 HA PRO A 126 7.757 14.117 1.232 1.00 25.20 H new ATOM 0 HB2 PRO A 126 6.857 16.397 2.509 1.00 32.02 H new ATOM 0 HB3 PRO A 126 5.707 15.343 1.709 1.00 32.02 H new ATOM 0 HG2 PRO A 126 6.472 15.433 4.633 1.00 34.04 H new ATOM 0 HG3 PRO A 126 4.870 15.365 3.925 1.00 34.04 H new ATOM 0 HD2 PRO A 126 6.093 13.153 4.878 1.00 63.35 H new ATOM 0 HD3 PRO A 126 5.002 13.080 3.508 1.00 63.35 H new ATOM 1190 N GLY A 127 9.644 15.460 1.877 1.00 14.22 N ATOM 1191 CA GLY A 127 10.915 16.044 2.212 1.00 11.24 C ATOM 1192 C GLY A 127 11.888 15.966 1.064 1.00 2.32 C ATOM 1193 O GLY A 127 12.486 16.966 0.672 1.00 43.33 O ATOM 0 H GLY A 127 9.394 15.531 0.891 1.00 14.22 H new ATOM 0 HA2 GLY A 127 10.772 17.086 2.497 1.00 11.24 H new ATOM 0 HA3 GLY A 127 11.333 15.531 3.078 1.00 11.24 H new ATOM 1197 N GLU A 128 12.010 14.793 0.503 1.00 54.25 N ATOM 1198 CA GLU A 128 12.930 14.534 -0.588 1.00 74.13 C ATOM 1199 C GLU A 128 12.347 13.450 -1.461 1.00 50.32 C ATOM 1200 O GLU A 128 11.262 12.928 -1.153 1.00 43.21 O ATOM 1201 CB GLU A 128 14.336 14.163 -0.033 1.00 74.14 C ATOM 1202 CG GLU A 128 14.371 12.952 0.900 1.00 5.25 C ATOM 1203 CD GLU A 128 14.781 11.664 0.225 1.00 60.24 C ATOM 1204 OE1 GLU A 128 13.948 11.012 -0.381 1.00 64.11 O ATOM 1205 OE2 GLU A 128 15.967 11.308 0.280 1.00 32.23 O ATOM 0 H GLU A 128 11.470 13.976 0.789 1.00 54.25 H new ATOM 0 HA GLU A 128 13.065 15.428 -1.197 1.00 74.13 H new ATOM 0 HB2 GLU A 128 15.002 13.972 -0.875 1.00 74.14 H new ATOM 0 HB3 GLU A 128 14.737 15.024 0.501 1.00 74.14 H new ATOM 0 HG2 GLU A 128 15.062 13.157 1.718 1.00 5.25 H new ATOM 0 HG3 GLU A 128 13.384 12.819 1.343 1.00 5.25 H new ATOM 1212 N GLU A 129 12.983 13.139 -2.550 1.00 3.21 N ATOM 1213 CA GLU A 129 12.492 12.079 -3.369 1.00 52.45 C ATOM 1214 C GLU A 129 13.613 11.165 -3.748 1.00 63.40 C ATOM 1215 O GLU A 129 14.309 11.396 -4.745 1.00 22.43 O ATOM 1216 CB GLU A 129 11.843 12.628 -4.619 1.00 73.22 C ATOM 1217 CG GLU A 129 11.146 11.574 -5.452 1.00 22.32 C ATOM 1218 CD GLU A 129 10.503 12.116 -6.692 1.00 72.23 C ATOM 1219 OE1 GLU A 129 9.502 12.862 -6.589 1.00 2.51 O ATOM 1220 OE2 GLU A 129 10.965 11.790 -7.808 1.00 4.43 O ATOM 0 H GLU A 129 13.830 13.597 -2.886 1.00 3.21 H new ATOM 0 HA GLU A 129 11.746 11.523 -2.801 1.00 52.45 H new ATOM 0 HB2 GLU A 129 11.120 13.393 -4.337 1.00 73.22 H new ATOM 0 HB3 GLU A 129 12.603 13.117 -5.228 1.00 73.22 H new ATOM 0 HG2 GLU A 129 11.869 10.808 -5.733 1.00 22.32 H new ATOM 0 HG3 GLU A 129 10.386 11.086 -4.842 1.00 22.32 H new ATOM 1227 N ASN A 130 13.817 10.149 -2.945 1.00 55.43 N ATOM 1228 CA ASN A 130 14.846 9.162 -3.177 1.00 25.23 C ATOM 1229 C ASN A 130 14.399 7.859 -2.593 1.00 24.30 C ATOM 1230 O ASN A 130 14.572 7.592 -1.404 1.00 44.35 O ATOM 1231 CB ASN A 130 16.159 9.587 -2.493 1.00 63.31 C ATOM 1232 CG ASN A 130 16.718 10.878 -3.044 1.00 34.43 C ATOM 1233 OD1 ASN A 130 16.242 11.977 -2.505 1.00 52.25 O flip ATOM 1234 ND2 ASN A 130 17.545 10.887 -3.958 1.00 25.11 N flip ATOM 0 H ASN A 130 13.267 9.981 -2.102 1.00 55.43 H new ATOM 0 HA ASN A 130 15.017 9.067 -4.249 1.00 25.23 H new ATOM 0 HB2 ASN A 130 15.985 9.700 -1.423 1.00 63.31 H new ATOM 0 HB3 ASN A 130 16.899 8.796 -2.614 1.00 63.31 H new ATOM 0 HD21 ASN A 130 17.886 10.007 -4.346 1.00 25.11 H new ATOM 0 HD22 ASN A 130 17.888 11.774 -4.327 1.00 25.11 H new ATOM 1241 N PHE A 131 13.793 7.078 -3.404 1.00 43.45 N ATOM 1242 CA PHE A 131 13.345 5.779 -3.028 1.00 22.01 C ATOM 1243 C PHE A 131 14.203 4.746 -3.698 1.00 44.24 C ATOM 1244 O PHE A 131 14.599 4.909 -4.864 1.00 52.33 O ATOM 1245 CB PHE A 131 11.893 5.569 -3.424 1.00 34.34 C ATOM 1246 CG PHE A 131 10.896 5.588 -2.290 1.00 24.43 C ATOM 1247 CD1 PHE A 131 10.851 4.556 -1.381 1.00 14.13 C ATOM 1248 CD2 PHE A 131 9.957 6.583 -2.192 1.00 30.54 C ATOM 1249 CE1 PHE A 131 9.889 4.516 -0.401 1.00 74.01 C ATOM 1250 CE2 PHE A 131 9.001 6.561 -1.194 1.00 62.14 C ATOM 1251 CZ PHE A 131 8.967 5.521 -0.305 1.00 53.24 C ATOM 0 H PHE A 131 13.586 7.323 -4.372 1.00 43.45 H new ATOM 0 HA PHE A 131 13.422 5.684 -1.945 1.00 22.01 H new ATOM 0 HB2 PHE A 131 11.615 6.342 -4.140 1.00 34.34 H new ATOM 0 HB3 PHE A 131 11.811 4.612 -3.940 1.00 34.34 H new ATOM 0 HD1 PHE A 131 11.584 3.765 -1.439 1.00 14.13 H new ATOM 0 HD2 PHE A 131 9.965 7.395 -2.904 1.00 30.54 H new ATOM 0 HE1 PHE A 131 9.861 3.690 0.294 1.00 74.01 H new ATOM 0 HE2 PHE A 131 8.282 7.363 -1.116 1.00 62.14 H new ATOM 0 HZ PHE A 131 8.215 5.494 0.469 1.00 53.24 H new ATOM 1261 N LYS A 132 14.493 3.711 -2.990 1.00 5.05 N ATOM 1262 CA LYS A 132 15.310 2.642 -3.484 1.00 24.24 C ATOM 1263 C LYS A 132 14.417 1.418 -3.618 1.00 75.34 C ATOM 1264 O LYS A 132 13.356 1.384 -3.029 1.00 2.04 O ATOM 1265 CB LYS A 132 16.437 2.352 -2.489 1.00 21.01 C ATOM 1266 CG LYS A 132 16.107 1.258 -1.495 1.00 62.13 C ATOM 1267 CD LYS A 132 17.266 0.930 -0.623 1.00 33.10 C ATOM 1268 CE LYS A 132 17.048 -0.411 0.020 1.00 54.33 C ATOM 1269 NZ LYS A 132 18.143 -0.774 0.933 1.00 62.05 N ATOM 0 H LYS A 132 14.167 3.575 -2.033 1.00 5.05 H new ATOM 0 HA LYS A 132 15.756 2.905 -4.443 1.00 24.24 H new ATOM 0 HB2 LYS A 132 17.333 2.070 -3.041 1.00 21.01 H new ATOM 0 HB3 LYS A 132 16.673 3.266 -1.944 1.00 21.01 H new ATOM 0 HG2 LYS A 132 15.266 1.571 -0.877 1.00 62.13 H new ATOM 0 HG3 LYS A 132 15.792 0.363 -2.032 1.00 62.13 H new ATOM 0 HD2 LYS A 132 18.184 0.918 -1.210 1.00 33.10 H new ATOM 0 HD3 LYS A 132 17.387 1.697 0.142 1.00 33.10 H new ATOM 0 HE2 LYS A 132 16.107 -0.400 0.570 1.00 54.33 H new ATOM 0 HE3 LYS A 132 16.955 -1.173 -0.754 1.00 54.33 H new ATOM 0 HZ1 LYS A 132 17.950 -1.706 1.353 1.00 62.05 H new ATOM 0 HZ2 LYS A 132 19.038 -0.811 0.404 1.00 62.05 H new ATOM 0 HZ3 LYS A 132 18.216 -0.062 1.688 1.00 62.05 H new ATOM 1283 N LEU A 133 14.848 0.413 -4.319 1.00 33.41 N ATOM 1284 CA LEU A 133 14.030 -0.750 -4.495 1.00 43.10 C ATOM 1285 C LEU A 133 14.821 -1.983 -4.131 1.00 43.34 C ATOM 1286 O LEU A 133 15.955 -2.158 -4.574 1.00 73.31 O ATOM 1287 CB LEU A 133 13.441 -0.854 -5.925 1.00 41.53 C ATOM 1288 CG LEU A 133 14.433 -0.900 -7.101 1.00 72.31 C ATOM 1289 CD1 LEU A 133 13.729 -1.408 -8.346 1.00 35.34 C ATOM 1290 CD2 LEU A 133 15.005 0.482 -7.405 1.00 31.11 C ATOM 0 H LEU A 133 15.758 0.374 -4.777 1.00 33.41 H new ATOM 0 HA LEU A 133 13.174 -0.664 -3.826 1.00 43.10 H new ATOM 0 HB2 LEU A 133 12.824 -1.752 -5.970 1.00 41.53 H new ATOM 0 HB3 LEU A 133 12.777 -0.003 -6.078 1.00 41.53 H new ATOM 0 HG LEU A 133 15.247 -1.567 -6.817 1.00 72.31 H new ATOM 0 HD11 LEU A 133 14.435 -1.439 -9.176 1.00 35.34 H new ATOM 0 HD12 LEU A 133 13.341 -2.410 -8.162 1.00 35.34 H new ATOM 0 HD13 LEU A 133 12.904 -0.740 -8.596 1.00 35.34 H new ATOM 0 HD21 LEU A 133 15.701 0.412 -8.241 1.00 31.11 H new ATOM 0 HD22 LEU A 133 14.194 1.162 -7.665 1.00 31.11 H new ATOM 0 HD23 LEU A 133 15.529 0.860 -6.527 1.00 31.11 H new ATOM 1302 N THR A 134 14.255 -2.793 -3.301 1.00 44.11 N ATOM 1303 CA THR A 134 14.873 -3.987 -2.840 1.00 61.04 C ATOM 1304 C THR A 134 13.806 -5.087 -2.834 1.00 63.21 C ATOM 1305 O THR A 134 12.779 -4.944 -2.197 1.00 13.33 O ATOM 1306 CB THR A 134 15.481 -3.743 -1.411 1.00 23.20 C ATOM 1307 OG1 THR A 134 16.114 -4.914 -0.883 1.00 42.21 O ATOM 1308 CG2 THR A 134 14.455 -3.195 -0.411 1.00 54.21 C ATOM 0 H THR A 134 13.324 -2.637 -2.915 1.00 44.11 H new ATOM 0 HA THR A 134 15.694 -4.293 -3.489 1.00 61.04 H new ATOM 0 HB THR A 134 16.244 -2.977 -1.550 1.00 23.20 H new ATOM 0 HG1 THR A 134 16.479 -4.716 0.005 1.00 42.21 H new ATOM 0 HG21 THR A 134 14.934 -3.047 0.557 1.00 54.21 H new ATOM 0 HG22 THR A 134 14.067 -2.243 -0.773 1.00 54.21 H new ATOM 0 HG23 THR A 134 13.635 -3.905 -0.305 1.00 54.21 H new ATOM 1316 N MET A 135 13.978 -6.155 -3.575 1.00 53.44 N ATOM 1317 CA MET A 135 12.906 -7.115 -3.565 1.00 12.30 C ATOM 1318 C MET A 135 13.206 -8.158 -2.562 1.00 12.20 C ATOM 1319 O MET A 135 14.063 -9.015 -2.771 1.00 3.20 O ATOM 1320 CB MET A 135 12.784 -7.766 -4.934 1.00 61.23 C ATOM 1321 CG MET A 135 11.650 -8.772 -5.064 1.00 15.43 C ATOM 1322 SD MET A 135 11.634 -9.591 -6.671 1.00 33.21 S ATOM 1323 CE MET A 135 13.204 -10.463 -6.616 1.00 62.25 C ATOM 0 H MET A 135 14.789 -6.372 -4.154 1.00 53.44 H new ATOM 0 HA MET A 135 11.971 -6.612 -3.319 1.00 12.30 H new ATOM 0 HB2 MET A 135 12.645 -6.985 -5.681 1.00 61.23 H new ATOM 0 HB3 MET A 135 13.724 -8.267 -5.168 1.00 61.23 H new ATOM 0 HG2 MET A 135 11.742 -9.522 -4.278 1.00 15.43 H new ATOM 0 HG3 MET A 135 10.698 -8.264 -4.909 1.00 15.43 H new ATOM 0 HE1 MET A 135 13.175 -11.308 -7.304 1.00 62.25 H new ATOM 0 HE2 MET A 135 14.007 -9.786 -6.907 1.00 62.25 H new ATOM 0 HE3 MET A 135 13.384 -10.825 -5.604 1.00 62.25 H new ATOM 1333 N VAL A 136 12.503 -8.078 -1.475 1.00 61.14 N ATOM 1334 CA VAL A 136 12.550 -9.044 -0.433 1.00 31.35 C ATOM 1335 C VAL A 136 11.197 -9.109 0.238 1.00 21.13 C ATOM 1336 O VAL A 136 10.844 -8.217 0.939 1.00 11.42 O ATOM 1337 CB VAL A 136 13.678 -8.708 0.619 1.00 14.10 C ATOM 1338 CG1 VAL A 136 15.014 -9.266 0.164 1.00 31.51 C ATOM 1339 CG2 VAL A 136 13.822 -7.185 0.800 1.00 54.42 C ATOM 0 H VAL A 136 11.859 -7.309 -1.287 1.00 61.14 H new ATOM 0 HA VAL A 136 12.794 -10.015 -0.864 1.00 31.35 H new ATOM 0 HB VAL A 136 13.389 -9.163 1.566 1.00 14.10 H new ATOM 0 HG11 VAL A 136 15.779 -9.025 0.902 1.00 31.51 H new ATOM 0 HG12 VAL A 136 14.940 -10.348 0.059 1.00 31.51 H new ATOM 0 HG13 VAL A 136 15.284 -8.826 -0.796 1.00 31.51 H new ATOM 0 HG21 VAL A 136 14.605 -6.978 1.529 1.00 54.42 H new ATOM 0 HG22 VAL A 136 14.085 -6.728 -0.154 1.00 54.42 H new ATOM 0 HG23 VAL A 136 12.878 -6.770 1.153 1.00 54.42 H new ATOM 1349 N LYS A 137 10.448 -10.125 0.062 1.00 52.42 N ATOM 1350 CA LYS A 137 9.221 -10.209 0.815 1.00 3.53 C ATOM 1351 C LYS A 137 9.085 -11.602 1.266 1.00 41.31 C ATOM 1352 O LYS A 137 8.891 -12.506 0.457 1.00 54.31 O ATOM 1353 CB LYS A 137 8.021 -9.730 0.024 1.00 54.34 C ATOM 1354 CG LYS A 137 6.827 -9.298 0.856 1.00 20.12 C ATOM 1355 CD LYS A 137 7.237 -8.137 1.765 1.00 34.24 C ATOM 1356 CE LYS A 137 6.078 -7.254 2.239 1.00 62.12 C ATOM 1357 NZ LYS A 137 6.535 -6.385 3.322 1.00 71.31 N ATOM 0 H LYS A 137 10.637 -10.900 -0.573 1.00 52.42 H new ATOM 0 HA LYS A 137 9.260 -9.541 1.675 1.00 3.53 H new ATOM 0 HB2 LYS A 137 8.330 -8.892 -0.601 1.00 54.34 H new ATOM 0 HB3 LYS A 137 7.706 -10.529 -0.647 1.00 54.34 H new ATOM 0 HG2 LYS A 137 6.007 -8.994 0.206 1.00 20.12 H new ATOM 0 HG3 LYS A 137 6.465 -10.134 1.455 1.00 20.12 H new ATOM 0 HD2 LYS A 137 7.749 -8.541 2.639 1.00 34.24 H new ATOM 0 HD3 LYS A 137 7.957 -7.514 1.234 1.00 34.24 H new ATOM 0 HE2 LYS A 137 5.703 -6.653 1.411 1.00 62.12 H new ATOM 0 HE3 LYS A 137 5.251 -7.875 2.582 1.00 62.12 H new ATOM 0 HZ1 LYS A 137 5.791 -5.695 3.551 1.00 71.31 H new ATOM 0 HZ2 LYS A 137 6.745 -6.960 4.163 1.00 71.31 H new ATOM 0 HZ3 LYS A 137 7.395 -5.881 3.024 1.00 71.31 H new ATOM 1371 N ARG A 138 9.227 -11.803 2.518 1.00 45.13 N ATOM 1372 CA ARG A 138 9.288 -13.115 3.024 1.00 24.14 C ATOM 1373 C ARG A 138 7.984 -13.441 3.713 1.00 5.34 C ATOM 1374 O ARG A 138 7.295 -12.524 4.166 1.00 34.52 O ATOM 1375 CB ARG A 138 10.527 -13.288 3.933 1.00 54.31 C ATOM 1376 CG ARG A 138 11.888 -12.975 3.240 1.00 35.04 C ATOM 1377 CD ARG A 138 12.164 -11.455 3.049 1.00 24.35 C ATOM 1378 NE ARG A 138 12.358 -10.723 4.320 1.00 1.42 N ATOM 1379 CZ ARG A 138 12.208 -9.381 4.509 1.00 54.12 C ATOM 1380 NH1 ARG A 138 11.714 -8.602 3.548 1.00 22.20 N ATOM 1381 NH2 ARG A 138 12.536 -8.837 5.677 1.00 10.12 N ATOM 0 H ARG A 138 9.304 -11.066 3.219 1.00 45.13 H new ATOM 0 HA ARG A 138 9.413 -13.832 2.212 1.00 24.14 H new ATOM 0 HB2 ARG A 138 10.418 -12.638 4.801 1.00 54.31 H new ATOM 0 HB3 ARG A 138 10.550 -14.313 4.303 1.00 54.31 H new ATOM 0 HG2 ARG A 138 12.694 -13.409 3.832 1.00 35.04 H new ATOM 0 HG3 ARG A 138 11.909 -13.463 2.266 1.00 35.04 H new ATOM 0 HD2 ARG A 138 13.052 -11.331 2.429 1.00 24.35 H new ATOM 0 HD3 ARG A 138 11.331 -11.009 2.506 1.00 24.35 H new ATOM 0 HE ARG A 138 12.630 -11.275 5.133 1.00 1.42 H new ATOM 0 HH11 ARG A 138 11.441 -9.007 2.653 1.00 22.20 H new ATOM 0 HH12 ARG A 138 11.609 -7.600 3.707 1.00 22.20 H new ATOM 0 HH21 ARG A 138 12.899 -9.423 6.429 1.00 10.12 H new ATOM 0 HH22 ARG A 138 12.425 -7.833 5.821 1.00 10.12 H new ATOM 1395 N ASN A 139 7.595 -14.727 3.676 1.00 32.41 N ATOM 1396 CA ASN A 139 6.323 -15.241 4.281 1.00 53.53 C ATOM 1397 C ASN A 139 5.118 -14.796 3.461 1.00 75.32 C ATOM 1398 O ASN A 139 3.966 -14.938 3.878 1.00 41.02 O ATOM 1399 CB ASN A 139 6.152 -14.803 5.750 1.00 0.15 C ATOM 1400 CG ASN A 139 7.247 -15.303 6.665 1.00 41.44 C ATOM 1401 OD1 ASN A 139 7.819 -16.388 6.466 1.00 3.13 O ATOM 1402 ND2 ASN A 139 7.572 -14.516 7.646 1.00 12.34 N ATOM 0 H ASN A 139 8.148 -15.456 3.225 1.00 32.41 H new ATOM 0 HA ASN A 139 6.386 -16.329 4.268 1.00 53.53 H new ATOM 0 HB2 ASN A 139 6.123 -13.714 5.794 1.00 0.15 H new ATOM 0 HB3 ASN A 139 5.191 -15.163 6.118 1.00 0.15 H new ATOM 0 HD21 ASN A 139 8.321 -14.781 8.286 1.00 12.34 H new ATOM 0 HD22 ASN A 139 7.078 -13.633 7.776 1.00 12.34 H new ATOM 1409 N ASN A 140 5.406 -14.294 2.280 1.00 53.22 N ATOM 1410 CA ASN A 140 4.419 -13.770 1.348 1.00 10.14 C ATOM 1411 C ASN A 140 4.937 -14.070 -0.050 1.00 71.34 C ATOM 1412 O ASN A 140 5.631 -15.070 -0.254 1.00 41.41 O ATOM 1413 CB ASN A 140 4.280 -12.228 1.508 1.00 55.13 C ATOM 1414 CG ASN A 140 3.754 -11.748 2.849 1.00 74.02 C ATOM 1415 OD1 ASN A 140 2.551 -11.639 3.051 1.00 13.11 O ATOM 1416 ND2 ASN A 140 4.645 -11.415 3.748 1.00 45.32 N ATOM 0 H ASN A 140 6.361 -14.235 1.927 1.00 53.22 H new ATOM 0 HA ASN A 140 3.445 -14.224 1.532 1.00 10.14 H new ATOM 0 HB2 ASN A 140 5.257 -11.775 1.339 1.00 55.13 H new ATOM 0 HB3 ASN A 140 3.617 -11.859 0.726 1.00 55.13 H new ATOM 0 HD21 ASN A 140 4.345 -11.051 4.652 1.00 45.32 H new ATOM 0 HD22 ASN A 140 5.639 -11.520 3.544 1.00 45.32 H new ATOM 1423 N GLN A 141 4.633 -13.223 -0.995 1.00 45.30 N ATOM 1424 CA GLN A 141 5.152 -13.346 -2.328 1.00 2.51 C ATOM 1425 C GLN A 141 6.369 -12.491 -2.405 1.00 23.25 C ATOM 1426 O GLN A 141 6.571 -11.678 -1.530 1.00 3.21 O ATOM 1427 CB GLN A 141 4.161 -12.846 -3.383 1.00 2.45 C ATOM 1428 CG GLN A 141 3.756 -11.390 -3.323 1.00 63.23 C ATOM 1429 CD GLN A 141 2.794 -11.071 -2.217 1.00 14.53 C ATOM 1430 OE1 GLN A 141 3.304 -10.608 -1.106 1.00 72.23 O flip ATOM 1431 NE2 GLN A 141 1.587 -11.185 -2.393 1.00 43.03 N flip ATOM 0 H GLN A 141 4.014 -12.423 -0.860 1.00 45.30 H new ATOM 0 HA GLN A 141 5.356 -14.398 -2.528 1.00 2.51 H new ATOM 0 HB2 GLN A 141 4.592 -13.036 -4.366 1.00 2.45 H new ATOM 0 HB3 GLN A 141 3.257 -13.450 -3.309 1.00 2.45 H new ATOM 0 HG2 GLN A 141 4.650 -10.779 -3.201 1.00 63.23 H new ATOM 0 HG3 GLN A 141 3.306 -11.109 -4.275 1.00 63.23 H new ATOM 0 HE21 GLN A 141 1.233 -11.551 -3.277 1.00 43.03 H new ATOM 0 HE22 GLN A 141 0.936 -10.914 -1.656 1.00 43.03 H new ATOM 1440 N THR A 142 7.142 -12.622 -3.427 1.00 61.24 N ATOM 1441 CA THR A 142 8.282 -11.793 -3.562 1.00 71.30 C ATOM 1442 C THR A 142 7.927 -10.586 -4.420 1.00 63.31 C ATOM 1443 O THR A 142 7.642 -10.680 -5.615 1.00 31.14 O ATOM 1444 CB THR A 142 9.514 -12.577 -4.062 1.00 45.42 C ATOM 1445 OG1 THR A 142 9.114 -13.509 -5.079 1.00 52.11 O ATOM 1446 CG2 THR A 142 10.186 -13.327 -2.894 1.00 32.15 C ATOM 0 H THR A 142 7.003 -13.296 -4.180 1.00 61.24 H new ATOM 0 HA THR A 142 8.579 -11.421 -2.582 1.00 71.30 H new ATOM 0 HB THR A 142 10.233 -11.873 -4.481 1.00 45.42 H new ATOM 0 HG1 THR A 142 9.898 -14.004 -5.396 1.00 52.11 H new ATOM 0 HG21 THR A 142 11.053 -13.875 -3.264 1.00 32.15 H new ATOM 0 HG22 THR A 142 10.505 -12.610 -2.137 1.00 32.15 H new ATOM 0 HG23 THR A 142 9.475 -14.027 -2.454 1.00 32.15 H new ATOM 1454 N ILE A 143 7.887 -9.491 -3.746 1.00 71.22 N ATOM 1455 CA ILE A 143 7.478 -8.203 -4.216 1.00 33.04 C ATOM 1456 C ILE A 143 8.539 -7.193 -3.876 1.00 52.21 C ATOM 1457 O ILE A 143 9.338 -7.433 -2.958 1.00 44.54 O ATOM 1458 CB ILE A 143 6.054 -7.791 -3.728 1.00 10.41 C ATOM 1459 CG1 ILE A 143 5.858 -8.022 -2.264 1.00 4.40 C ATOM 1460 CG2 ILE A 143 4.976 -8.459 -4.506 1.00 63.22 C ATOM 1461 CD1 ILE A 143 6.460 -6.940 -1.440 1.00 34.35 C ATOM 0 H ILE A 143 8.163 -9.466 -2.764 1.00 71.22 H new ATOM 0 HA ILE A 143 7.379 -8.247 -5.301 1.00 33.04 H new ATOM 0 HB ILE A 143 5.984 -6.718 -3.906 1.00 10.41 H new ATOM 0 HG12 ILE A 143 4.792 -8.091 -2.048 1.00 4.40 H new ATOM 0 HG13 ILE A 143 6.302 -8.978 -1.986 1.00 4.40 H new ATOM 0 HG21 ILE A 143 4.004 -8.140 -4.129 1.00 63.22 H new ATOM 0 HG22 ILE A 143 5.064 -8.187 -5.558 1.00 63.22 H new ATOM 0 HG23 ILE A 143 5.069 -9.540 -4.402 1.00 63.22 H new ATOM 0 HD11 ILE A 143 6.292 -7.151 -0.384 1.00 34.35 H new ATOM 0 HD12 ILE A 143 7.531 -6.888 -1.634 1.00 34.35 H new ATOM 0 HD13 ILE A 143 5.998 -5.987 -1.697 1.00 34.35 H new ATOM 1473 N PHE A 144 8.607 -6.126 -4.605 1.00 74.44 N ATOM 1474 CA PHE A 144 9.698 -5.215 -4.474 1.00 64.24 C ATOM 1475 C PHE A 144 9.360 -4.210 -3.413 1.00 73.11 C ATOM 1476 O PHE A 144 8.324 -3.532 -3.471 1.00 0.03 O ATOM 1477 CB PHE A 144 9.889 -4.442 -5.782 1.00 73.23 C ATOM 1478 CG PHE A 144 10.161 -5.274 -6.994 1.00 33.22 C ATOM 1479 CD1 PHE A 144 9.118 -5.772 -7.765 1.00 73.42 C ATOM 1480 CD2 PHE A 144 11.451 -5.533 -7.377 1.00 2.21 C ATOM 1481 CE1 PHE A 144 9.369 -6.516 -8.896 1.00 61.20 C ATOM 1482 CE2 PHE A 144 11.713 -6.281 -8.504 1.00 62.44 C ATOM 1483 CZ PHE A 144 10.670 -6.772 -9.267 1.00 23.22 C ATOM 0 H PHE A 144 7.913 -5.862 -5.304 1.00 74.44 H new ATOM 0 HA PHE A 144 10.600 -5.774 -4.225 1.00 64.24 H new ATOM 0 HB2 PHE A 144 8.994 -3.848 -5.965 1.00 73.23 H new ATOM 0 HB3 PHE A 144 10.715 -3.742 -5.652 1.00 73.23 H new ATOM 0 HD1 PHE A 144 8.097 -5.573 -7.473 1.00 73.42 H new ATOM 0 HD2 PHE A 144 12.271 -5.147 -6.789 1.00 2.21 H new ATOM 0 HE1 PHE A 144 8.550 -6.897 -9.489 1.00 61.20 H new ATOM 0 HE2 PHE A 144 12.734 -6.484 -8.792 1.00 62.44 H new ATOM 0 HZ PHE A 144 10.875 -7.355 -10.152 1.00 23.22 H new ATOM 1493 N GLU A 145 10.218 -4.136 -2.437 1.00 70.45 N ATOM 1494 CA GLU A 145 10.049 -3.255 -1.351 1.00 61.53 C ATOM 1495 C GLU A 145 10.802 -1.997 -1.682 1.00 63.12 C ATOM 1496 O GLU A 145 11.895 -2.047 -2.241 1.00 73.14 O ATOM 1497 CB GLU A 145 10.559 -3.871 -0.026 1.00 0.15 C ATOM 1498 CG GLU A 145 9.981 -5.234 0.326 1.00 12.04 C ATOM 1499 CD GLU A 145 9.848 -5.456 1.840 1.00 55.33 C ATOM 1500 OE1 GLU A 145 10.824 -5.867 2.509 1.00 23.34 O ATOM 1501 OE2 GLU A 145 8.730 -5.215 2.398 1.00 23.51 O ATOM 0 H GLU A 145 11.065 -4.702 -2.386 1.00 70.45 H new ATOM 0 HA GLU A 145 8.990 -3.047 -1.200 1.00 61.53 H new ATOM 0 HB2 GLU A 145 11.644 -3.958 -0.080 1.00 0.15 H new ATOM 0 HB3 GLU A 145 10.335 -3.180 0.786 1.00 0.15 H new ATOM 0 HG2 GLU A 145 9.000 -5.338 -0.138 1.00 12.04 H new ATOM 0 HG3 GLU A 145 10.617 -6.012 -0.095 1.00 12.04 H new ATOM 1508 N GLN A 146 10.221 -0.896 -1.398 1.00 25.53 N ATOM 1509 CA GLN A 146 10.806 0.349 -1.750 1.00 54.21 C ATOM 1510 C GLN A 146 11.078 1.147 -0.476 1.00 40.43 C ATOM 1511 O GLN A 146 10.135 1.498 0.258 1.00 23.53 O ATOM 1512 CB GLN A 146 9.846 1.079 -2.707 1.00 54.52 C ATOM 1513 CG GLN A 146 10.536 2.119 -3.549 1.00 54.41 C ATOM 1514 CD GLN A 146 9.679 2.740 -4.611 1.00 33.13 C ATOM 1515 OE1 GLN A 146 9.619 2.255 -5.727 1.00 14.11 O ATOM 1516 NE2 GLN A 146 9.037 3.827 -4.296 1.00 21.14 N ATOM 0 H GLN A 146 9.326 -0.826 -0.915 1.00 25.53 H new ATOM 0 HA GLN A 146 11.759 0.216 -2.262 1.00 54.21 H new ATOM 0 HB2 GLN A 146 9.368 0.349 -3.360 1.00 54.52 H new ATOM 0 HB3 GLN A 146 9.055 1.555 -2.127 1.00 54.52 H new ATOM 0 HG2 GLN A 146 10.907 2.908 -2.895 1.00 54.41 H new ATOM 0 HG3 GLN A 146 11.405 1.663 -4.024 1.00 54.41 H new ATOM 0 HE21 GLN A 146 9.109 4.206 -3.352 1.00 21.14 H new ATOM 0 HE22 GLN A 146 8.462 4.300 -4.993 1.00 21.14 H new ATOM 1525 N THR A 147 12.354 1.364 -0.169 1.00 1.21 N ATOM 1526 CA THR A 147 12.761 2.072 1.042 1.00 35.40 C ATOM 1527 C THR A 147 13.352 3.408 0.691 1.00 60.35 C ATOM 1528 O THR A 147 13.789 3.622 -0.434 1.00 24.42 O ATOM 1529 CB THR A 147 13.831 1.276 1.813 1.00 61.43 C ATOM 1530 OG1 THR A 147 14.085 0.024 1.139 1.00 24.04 O ATOM 1531 CG2 THR A 147 13.381 1.006 3.249 1.00 53.21 C ATOM 0 H THR A 147 13.133 1.055 -0.750 1.00 1.21 H new ATOM 0 HA THR A 147 11.872 2.195 1.660 1.00 35.40 H new ATOM 0 HB THR A 147 14.745 1.868 1.844 1.00 61.43 H new ATOM 0 HG1 THR A 147 14.444 -0.625 1.779 1.00 24.04 H new ATOM 0 HG21 THR A 147 14.153 0.443 3.773 1.00 53.21 H new ATOM 0 HG22 THR A 147 13.212 1.953 3.762 1.00 53.21 H new ATOM 0 HG23 THR A 147 12.456 0.429 3.238 1.00 53.21 H new ATOM 1539 N ILE A 148 13.378 4.287 1.628 1.00 11.42 N ATOM 1540 CA ILE A 148 13.934 5.590 1.430 1.00 54.15 C ATOM 1541 C ILE A 148 15.244 5.621 2.157 1.00 32.02 C ATOM 1542 O ILE A 148 15.450 4.881 3.123 1.00 51.15 O ATOM 1543 CB ILE A 148 13.011 6.674 2.028 1.00 11.11 C ATOM 1544 CG1 ILE A 148 11.569 6.334 1.670 1.00 10.24 C ATOM 1545 CG2 ILE A 148 13.383 8.019 1.421 1.00 2.50 C ATOM 1546 CD1 ILE A 148 10.495 6.928 2.543 1.00 73.22 C ATOM 0 H ILE A 148 13.011 4.126 2.566 1.00 11.42 H new ATOM 0 HA ILE A 148 14.052 5.788 0.365 1.00 54.15 H new ATOM 0 HB ILE A 148 13.121 6.718 3.112 1.00 11.11 H new ATOM 0 HG12 ILE A 148 11.389 6.655 0.644 1.00 10.24 H new ATOM 0 HG13 ILE A 148 11.461 5.250 1.689 1.00 10.24 H new ATOM 0 HG21 ILE A 148 12.739 8.795 1.834 1.00 2.50 H new ATOM 0 HG22 ILE A 148 14.423 8.248 1.654 1.00 2.50 H new ATOM 0 HG23 ILE A 148 13.254 7.978 0.339 1.00 2.50 H new ATOM 0 HD11 ILE A 148 9.516 6.610 2.183 1.00 73.22 H new ATOM 0 HD12 ILE A 148 10.632 6.589 3.570 1.00 73.22 H new ATOM 0 HD13 ILE A 148 10.559 8.016 2.509 1.00 73.22 H new ATOM 1558 N ASN A 149 16.117 6.456 1.712 1.00 63.25 N ATOM 1559 CA ASN A 149 17.422 6.594 2.303 1.00 4.53 C ATOM 1560 C ASN A 149 17.455 7.754 3.273 1.00 62.42 C ATOM 1561 O ASN A 149 18.518 8.132 3.751 1.00 72.22 O ATOM 1562 CB ASN A 149 18.484 6.799 1.193 1.00 31.34 C ATOM 1563 CG ASN A 149 18.126 7.877 0.155 1.00 14.43 C ATOM 1564 OD1 ASN A 149 17.445 8.929 0.559 1.00 72.11 O flip ATOM 1565 ND2 ASN A 149 18.497 7.763 -1.007 1.00 25.24 N flip ATOM 0 H ASN A 149 15.952 7.075 0.918 1.00 63.25 H new ATOM 0 HA ASN A 149 17.649 5.682 2.854 1.00 4.53 H new ATOM 0 HB2 ASN A 149 19.432 7.064 1.660 1.00 31.34 H new ATOM 0 HB3 ASN A 149 18.637 5.852 0.676 1.00 31.34 H new ATOM 0 HD21 ASN A 149 19.023 6.938 -1.296 1.00 25.24 H new ATOM 0 HD22 ASN A 149 18.280 8.493 -1.686 1.00 25.24 H new ATOM 1572 N ASP A 150 16.292 8.332 3.563 1.00 73.45 N ATOM 1573 CA ASP A 150 16.273 9.542 4.376 1.00 23.52 C ATOM 1574 C ASP A 150 14.953 9.737 5.084 1.00 75.11 C ATOM 1575 O ASP A 150 14.911 9.935 6.284 1.00 4.44 O ATOM 1576 CB ASP A 150 16.536 10.724 3.492 1.00 72.44 C ATOM 1577 CG ASP A 150 16.983 11.938 4.271 1.00 74.12 C ATOM 1578 OD1 ASP A 150 18.035 11.879 4.940 1.00 64.33 O ATOM 1579 OD2 ASP A 150 16.308 12.971 4.227 1.00 33.12 O ATOM 0 H ASP A 150 15.379 7.995 3.258 1.00 73.45 H new ATOM 0 HA ASP A 150 17.044 9.443 5.140 1.00 23.52 H new ATOM 0 HB2 ASP A 150 17.301 10.464 2.760 1.00 72.44 H new ATOM 0 HB3 ASP A 150 15.631 10.966 2.935 1.00 72.44 H new ATOM 1584 N LEU A 151 13.865 9.639 4.333 1.00 14.20 N ATOM 1585 CA LEU A 151 12.495 9.832 4.860 1.00 5.15 C ATOM 1586 C LEU A 151 12.004 8.548 5.526 1.00 1.42 C ATOM 1587 O LEU A 151 10.817 8.345 5.711 1.00 52.33 O ATOM 1588 CB LEU A 151 11.565 10.151 3.713 1.00 63.12 C ATOM 1589 CG LEU A 151 11.984 11.261 2.791 1.00 63.24 C ATOM 1590 CD1 LEU A 151 11.434 10.983 1.420 1.00 32.02 C ATOM 1591 CD2 LEU A 151 11.444 12.571 3.278 1.00 1.55 C ATOM 0 H LEU A 151 13.893 9.423 3.336 1.00 14.20 H new ATOM 0 HA LEU A 151 12.507 10.645 5.586 1.00 5.15 H new ATOM 0 HB2 LEU A 151 11.435 9.246 3.119 1.00 63.12 H new ATOM 0 HB3 LEU A 151 10.589 10.403 4.127 1.00 63.12 H new ATOM 0 HG LEU A 151 13.072 11.314 2.762 1.00 63.24 H new ATOM 0 HD11 LEU A 151 11.731 11.782 0.740 1.00 32.02 H new ATOM 0 HD12 LEU A 151 11.826 10.033 1.057 1.00 32.02 H new ATOM 0 HD13 LEU A 151 10.346 10.933 1.468 1.00 32.02 H new ATOM 0 HD21 LEU A 151 11.755 13.367 2.601 1.00 1.55 H new ATOM 0 HD22 LEU A 151 10.355 12.526 3.310 1.00 1.55 H new ATOM 0 HD23 LEU A 151 11.828 12.774 4.278 1.00 1.55 H new ATOM 1603 N THR A 152 12.944 7.719 5.871 1.00 63.42 N ATOM 1604 CA THR A 152 12.764 6.431 6.502 1.00 54.25 C ATOM 1605 C THR A 152 12.006 6.564 7.854 1.00 40.22 C ATOM 1606 O THR A 152 11.351 5.614 8.330 1.00 21.30 O ATOM 1607 CB THR A 152 14.177 5.884 6.725 1.00 24.04 C ATOM 1608 OG1 THR A 152 14.934 6.156 5.529 1.00 3.14 O ATOM 1609 CG2 THR A 152 14.176 4.391 6.959 1.00 31.12 C ATOM 0 H THR A 152 13.928 7.934 5.711 1.00 63.42 H new ATOM 0 HA THR A 152 12.163 5.766 5.881 1.00 54.25 H new ATOM 0 HB THR A 152 14.605 6.359 7.607 1.00 24.04 H new ATOM 0 HG1 THR A 152 14.839 5.407 4.904 1.00 3.14 H new ATOM 0 HG21 THR A 152 15.199 4.046 7.112 1.00 31.12 H new ATOM 0 HG22 THR A 152 13.579 4.161 7.842 1.00 31.12 H new ATOM 0 HG23 THR A 152 13.749 3.887 6.092 1.00 31.12 H new ATOM 1617 N PHE A 153 12.080 7.750 8.436 1.00 22.52 N ATOM 1618 CA PHE A 153 11.400 8.056 9.686 1.00 5.42 C ATOM 1619 C PHE A 153 9.881 8.173 9.473 1.00 12.13 C ATOM 1620 O PHE A 153 9.409 8.299 8.330 1.00 2.45 O ATOM 1621 CB PHE A 153 11.968 9.352 10.313 1.00 43.24 C ATOM 1622 CG PHE A 153 11.867 10.587 9.435 1.00 54.51 C ATOM 1623 CD1 PHE A 153 12.883 10.916 8.559 1.00 10.13 C ATOM 1624 CD2 PHE A 153 10.761 11.411 9.497 1.00 12.42 C ATOM 1625 CE1 PHE A 153 12.798 12.041 7.761 1.00 41.35 C ATOM 1626 CE2 PHE A 153 10.669 12.537 8.701 1.00 3.55 C ATOM 1627 CZ PHE A 153 11.689 12.853 7.832 1.00 61.02 C ATOM 0 H PHE A 153 12.615 8.530 8.054 1.00 22.52 H new ATOM 0 HA PHE A 153 11.579 7.234 10.379 1.00 5.42 H new ATOM 0 HB2 PHE A 153 11.443 9.546 11.248 1.00 43.24 H new ATOM 0 HB3 PHE A 153 13.016 9.188 10.564 1.00 43.24 H new ATOM 0 HD1 PHE A 153 13.757 10.285 8.497 1.00 10.13 H new ATOM 0 HD2 PHE A 153 9.957 11.172 10.177 1.00 12.42 H new ATOM 0 HE1 PHE A 153 13.602 12.283 7.082 1.00 41.35 H new ATOM 0 HE2 PHE A 153 9.796 13.170 8.761 1.00 3.55 H new ATOM 0 HZ PHE A 153 11.619 13.733 7.210 1.00 61.02 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -7.581 -4.462 2.267 1.00 33.12 ZN HETATM 1639 ZN ZN A 305 5.850 4.590 3.706 1.00 12.11 ZN