USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 1.2: A 110 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.14) USER MOD Set 2.1: A 77 HIS : no HE2:sc= 0.0301 K(o=0.42,f=-0.99) USER MOD Set 2.2: A 104 SER OG : rot -31:sc= 0.394 USER MOD Set 3.1: A 34 ASN : amide:sc= -0.619 K(o=-0.9,f=-12!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -155:sc= -0.28 (180deg=0) USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 29 SER OG : rot -120:sc= -0.312 USER MOD Set 5.1: A 16 THR OG1 : rot 117:sc= 0.116 USER MOD Set 5.2: A 18 THR OG1 : rot 180:sc= 0.388 USER MOD Set 6.1: A 2 HIS : no HD1:sc= -0.236 X(o=-1.6,f=-1.2) USER MOD Set 6.2: A 3 HIS : no HD1:sc= -1.41 K(o=-1.6,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.0569 (180deg=-0.763) USER MOD Single : A 4 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.03) USER MOD Single : A 5 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.844 K(o=-0.84,f=-1.7!) USER MOD Single : A 7 HIS : no HE2:sc= -1.53 X(o=-1.5,f=-1.4) USER MOD Single : A 11 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.11) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.22) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -89:sc= 1.13 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= 1.08 (180deg=0.546) USER MOD Single : A 37 SER OG : rot -12:sc= 0.0947 USER MOD Single : A 40 GLN : amide:sc= -0.69 K(o=-0.69,f=-0.13) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 1.11 (180deg=1.06) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 GLN : amide:sc= -7.71! C(o=-7.7!,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -155:sc= -0.0132 (180deg=-0.296) USER MOD Single : A 58 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.9) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 66 SER OG : rot 170:sc= -0.202 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.74! C(o=-1.7!,f=-0.031!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -160:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -57:sc= 0.116 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= -6.38! (180deg=-7.02!) USER MOD Single : A 108 SER OG : rot 91:sc=0.000473 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 115.221 15.484 0.448 1.00 0.00 N ATOM 2 CA MET A 1 114.046 14.937 -0.289 1.00 0.00 C ATOM 3 C MET A 1 114.517 13.913 -1.317 1.00 0.00 C ATOM 4 O MET A 1 115.669 13.943 -1.753 1.00 0.00 O ATOM 5 CB MET A 1 113.306 16.084 -0.990 1.00 0.00 C ATOM 6 CG MET A 1 114.237 16.773 -1.994 1.00 0.00 C ATOM 7 SD MET A 1 114.272 18.553 -1.666 1.00 0.00 S ATOM 8 CE MET A 1 115.441 19.002 -2.973 1.00 0.00 C ATOM 0 H1 MET A 1 115.086 16.502 0.610 1.00 0.00 H new ATOM 0 H2 MET A 1 115.314 14.998 1.363 1.00 0.00 H new ATOM 0 H3 MET A 1 116.083 15.334 -0.113 1.00 0.00 H new ATOM 0 HA MET A 1 113.369 14.449 0.412 1.00 0.00 H new ATOM 0 HB2 MET A 1 112.425 15.699 -1.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 112.955 16.806 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.242 16.359 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 1 113.893 16.587 -3.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 115.612 20.078 -2.954 1.00 0.00 H new ATOM 0 HE2 MET A 1 116.385 18.482 -2.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 115.031 18.717 -3.942 1.00 0.00 H new ATOM 20 N HIS A 2 113.614 13.010 -1.700 1.00 0.00 N ATOM 21 CA HIS A 2 113.930 11.975 -2.683 1.00 0.00 C ATOM 22 C HIS A 2 115.082 11.096 -2.197 1.00 0.00 C ATOM 23 O HIS A 2 116.252 11.456 -2.335 1.00 0.00 O ATOM 24 CB HIS A 2 114.300 12.619 -4.025 1.00 0.00 C ATOM 25 CG HIS A 2 114.270 11.577 -5.109 1.00 0.00 C ATOM 26 ND1 HIS A 2 113.087 11.013 -5.561 1.00 0.00 N ATOM 27 CD2 HIS A 2 115.270 10.986 -5.841 1.00 0.00 C ATOM 28 CE1 HIS A 2 113.401 10.128 -6.523 1.00 0.00 C ATOM 29 NE2 HIS A 2 114.719 10.072 -6.734 1.00 0.00 N ATOM 0 H HIS A 2 112.659 12.975 -1.344 1.00 0.00 H new ATOM 0 HA HIS A 2 113.048 11.349 -2.814 1.00 0.00 H new ATOM 0 HB2 HIS A 2 113.602 13.422 -4.259 1.00 0.00 H new ATOM 0 HB3 HIS A 2 115.292 13.067 -3.964 1.00 0.00 H new ATOM 0 HD2 HIS A 2 116.324 11.198 -5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 2 112.676 9.534 -7.060 1.00 0.00 H new ATOM 0 HE2 HIS A 2 115.215 9.485 -7.405 1.00 0.00 H new ATOM 37 N HIS A 3 114.738 9.943 -1.628 1.00 0.00 N ATOM 38 CA HIS A 3 115.744 9.011 -1.121 1.00 0.00 C ATOM 39 C HIS A 3 116.675 9.714 -0.135 1.00 0.00 C ATOM 40 O HIS A 3 117.832 10.001 -0.451 1.00 0.00 O ATOM 41 CB HIS A 3 116.561 8.432 -2.283 1.00 0.00 C ATOM 42 CG HIS A 3 115.642 7.743 -3.256 1.00 0.00 C ATOM 43 ND1 HIS A 3 114.572 8.394 -3.851 1.00 0.00 N ATOM 44 CD2 HIS A 3 115.623 6.463 -3.749 1.00 0.00 C ATOM 45 CE1 HIS A 3 113.960 7.510 -4.660 1.00 0.00 C ATOM 46 NE2 HIS A 3 114.561 6.317 -4.635 1.00 0.00 N ATOM 0 H HIS A 3 113.774 9.632 -1.506 1.00 0.00 H new ATOM 0 HA HIS A 3 115.232 8.199 -0.604 1.00 0.00 H new ATOM 0 HB2 HIS A 3 117.109 9.228 -2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 3 117.300 7.726 -1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 3 116.326 5.686 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 3 113.089 7.737 -5.257 1.00 0.00 H new ATOM 0 HE2 HIS A 3 114.298 5.479 -5.154 1.00 0.00 H new ATOM 54 N HIS A 4 116.157 9.990 1.059 1.00 0.00 N ATOM 55 CA HIS A 4 116.942 10.662 2.091 1.00 0.00 C ATOM 56 C HIS A 4 116.932 9.849 3.383 1.00 0.00 C ATOM 57 O HIS A 4 117.758 10.066 4.270 1.00 0.00 O ATOM 58 CB HIS A 4 116.372 12.061 2.348 1.00 0.00 C ATOM 59 CG HIS A 4 117.402 12.916 3.039 1.00 0.00 C ATOM 60 ND1 HIS A 4 117.057 14.057 3.749 1.00 0.00 N ATOM 61 CD2 HIS A 4 118.769 12.814 3.138 1.00 0.00 C ATOM 62 CE1 HIS A 4 118.192 14.590 4.238 1.00 0.00 C ATOM 63 NE2 HIS A 4 119.264 13.872 3.896 1.00 0.00 N ATOM 0 H HIS A 4 115.202 9.760 1.335 1.00 0.00 H new ATOM 0 HA HIS A 4 117.972 10.752 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 4 116.078 12.522 1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 4 115.474 11.990 2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 4 119.368 12.032 2.695 1.00 0.00 H new ATOM 0 HE1 HIS A 4 118.231 15.489 4.835 1.00 0.00 H new ATOM 0 HE2 HIS A 4 120.237 14.058 4.138 1.00 0.00 H new ATOM 71 N HIS A 5 115.991 8.909 3.482 1.00 0.00 N ATOM 72 CA HIS A 5 115.883 8.065 4.669 1.00 0.00 C ATOM 73 C HIS A 5 114.941 6.890 4.412 1.00 0.00 C ATOM 74 O HIS A 5 114.553 6.631 3.272 1.00 0.00 O ATOM 75 CB HIS A 5 115.373 8.890 5.858 1.00 0.00 C ATOM 76 CG HIS A 5 116.316 8.734 7.018 1.00 0.00 C ATOM 77 ND1 HIS A 5 117.300 9.668 7.301 1.00 0.00 N ATOM 78 CD2 HIS A 5 116.442 7.755 7.974 1.00 0.00 C ATOM 79 CE1 HIS A 5 117.969 9.236 8.385 1.00 0.00 C ATOM 80 NE2 HIS A 5 117.488 8.075 8.835 1.00 0.00 N ATOM 0 H HIS A 5 115.298 8.715 2.759 1.00 0.00 H new ATOM 0 HA HIS A 5 116.873 7.673 4.902 1.00 0.00 H new ATOM 0 HB2 HIS A 5 115.294 9.941 5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 5 114.374 8.560 6.141 1.00 0.00 H new ATOM 0 HD2 HIS A 5 115.824 6.872 8.046 1.00 0.00 H new ATOM 0 HE1 HIS A 5 118.795 9.765 8.837 1.00 0.00 H new ATOM 0 HE2 HIS A 5 117.816 7.538 9.637 1.00 0.00 H new ATOM 88 N HIS A 6 114.582 6.181 5.480 1.00 0.00 N ATOM 89 CA HIS A 6 113.688 5.031 5.367 1.00 0.00 C ATOM 90 C HIS A 6 112.236 5.458 5.570 1.00 0.00 C ATOM 91 O HIS A 6 111.726 5.448 6.691 1.00 0.00 O ATOM 92 CB HIS A 6 114.070 3.975 6.409 1.00 0.00 C ATOM 93 CG HIS A 6 115.468 3.486 6.141 1.00 0.00 C ATOM 94 ND1 HIS A 6 116.563 4.337 6.152 1.00 0.00 N ATOM 95 CD2 HIS A 6 115.967 2.239 5.855 1.00 0.00 C ATOM 96 CE1 HIS A 6 117.655 3.599 5.880 1.00 0.00 C ATOM 97 NE2 HIS A 6 117.348 2.313 5.690 1.00 0.00 N ATOM 0 H HIS A 6 114.895 6.381 6.430 1.00 0.00 H new ATOM 0 HA HIS A 6 113.789 4.607 4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 6 114.008 4.399 7.411 1.00 0.00 H new ATOM 0 HB3 HIS A 6 113.369 3.142 6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 6 115.378 1.338 5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 6 118.657 3.998 5.822 1.00 0.00 H new ATOM 0 HE2 HIS A 6 117.988 1.549 5.471 1.00 0.00 H new ATOM 105 N HIS A 7 111.575 5.830 4.474 1.00 0.00 N ATOM 106 CA HIS A 7 110.177 6.257 4.538 1.00 0.00 C ATOM 107 C HIS A 7 109.249 5.053 4.392 1.00 0.00 C ATOM 108 O HIS A 7 108.085 5.101 4.793 1.00 0.00 O ATOM 109 CB HIS A 7 109.865 7.274 3.428 1.00 0.00 C ATOM 110 CG HIS A 7 111.141 7.789 2.814 1.00 0.00 C ATOM 111 ND1 HIS A 7 111.794 8.912 3.296 1.00 0.00 N ATOM 112 CD2 HIS A 7 111.893 7.347 1.753 1.00 0.00 C ATOM 113 CE1 HIS A 7 112.884 9.108 2.533 1.00 0.00 C ATOM 114 NE2 HIS A 7 112.993 8.181 1.577 1.00 0.00 N ATOM 0 H HIS A 7 111.981 5.845 3.538 1.00 0.00 H new ATOM 0 HA HIS A 7 110.014 6.728 5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 7 109.248 6.807 2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 7 109.290 8.104 3.838 1.00 0.00 H new ATOM 0 HD1 HIS A 7 111.501 9.486 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 7 111.665 6.483 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 7 113.586 9.916 2.676 1.00 0.00 H new ATOM 122 N GLY A 8 109.779 3.977 3.814 1.00 0.00 N ATOM 123 CA GLY A 8 109.003 2.758 3.610 1.00 0.00 C ATOM 124 C GLY A 8 109.420 2.072 2.315 1.00 0.00 C ATOM 125 O GLY A 8 110.069 2.681 1.463 1.00 0.00 O ATOM 0 H GLY A 8 110.741 3.925 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 8 109.150 2.081 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 8 107.940 2.998 3.576 1.00 0.00 H new ATOM 129 N GLU A 9 109.052 0.800 2.174 1.00 0.00 N ATOM 130 CA GLU A 9 109.403 0.039 0.976 1.00 0.00 C ATOM 131 C GLU A 9 108.193 -0.717 0.438 1.00 0.00 C ATOM 132 O GLU A 9 108.185 -1.145 -0.717 1.00 0.00 O ATOM 133 CB GLU A 9 110.520 -0.960 1.294 1.00 0.00 C ATOM 134 CG GLU A 9 111.740 -0.217 1.856 1.00 0.00 C ATOM 135 CD GLU A 9 111.513 0.166 3.320 1.00 0.00 C ATOM 136 OE1 GLU A 9 110.901 -0.614 4.034 1.00 0.00 O ATOM 137 OE2 GLU A 9 111.957 1.236 3.706 1.00 0.00 O ATOM 0 H GLU A 9 108.516 0.278 2.867 1.00 0.00 H new ATOM 0 HA GLU A 9 109.745 0.744 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 9 110.167 -1.696 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 9 110.799 -1.506 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 9 112.626 -0.847 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 9 111.930 0.679 1.266 1.00 0.00 H new ATOM 144 N PHE A 10 107.179 -0.889 1.282 1.00 0.00 N ATOM 145 CA PHE A 10 105.974 -1.609 0.878 1.00 0.00 C ATOM 146 C PHE A 10 104.800 -0.652 0.711 1.00 0.00 C ATOM 147 O PHE A 10 104.406 0.038 1.653 1.00 0.00 O ATOM 148 CB PHE A 10 105.626 -2.672 1.929 1.00 0.00 C ATOM 149 CG PHE A 10 106.891 -3.144 2.608 1.00 0.00 C ATOM 150 CD1 PHE A 10 107.685 -4.127 2.005 1.00 0.00 C ATOM 151 CD2 PHE A 10 107.273 -2.594 3.839 1.00 0.00 C ATOM 152 CE1 PHE A 10 108.859 -4.560 2.631 1.00 0.00 C ATOM 153 CE2 PHE A 10 108.448 -3.027 4.464 1.00 0.00 C ATOM 154 CZ PHE A 10 109.241 -4.011 3.861 1.00 0.00 C ATOM 0 H PHE A 10 107.167 -0.543 2.242 1.00 0.00 H new ATOM 0 HA PHE A 10 106.168 -2.091 -0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 10 104.938 -2.258 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 10 105.119 -3.513 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.391 -4.551 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 10 106.661 -1.836 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 10 109.471 -5.318 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 10 108.743 -2.602 5.412 1.00 0.00 H new ATOM 0 HZ PHE A 10 110.147 -4.346 4.344 1.00 0.00 H new ATOM 164 N GLN A 11 104.239 -0.631 -0.496 1.00 0.00 N ATOM 165 CA GLN A 11 103.099 0.228 -0.796 1.00 0.00 C ATOM 166 C GLN A 11 101.955 -0.609 -1.357 1.00 0.00 C ATOM 167 O GLN A 11 102.090 -1.220 -2.418 1.00 0.00 O ATOM 168 CB GLN A 11 103.496 1.302 -1.813 1.00 0.00 C ATOM 169 CG GLN A 11 104.652 2.142 -1.260 1.00 0.00 C ATOM 170 CD GLN A 11 105.893 1.962 -2.129 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.633 0.994 -1.959 1.00 0.00 O ATOM 172 NE2 GLN A 11 106.165 2.842 -3.054 1.00 0.00 N ATOM 0 H GLN A 11 104.556 -1.199 -1.281 1.00 0.00 H new ATOM 0 HA GLN A 11 102.776 0.714 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.792 0.834 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.641 1.942 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.367 3.194 -1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 11 104.870 1.844 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.549 3.643 -3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.993 2.728 -3.638 1.00 0.00 H new ATOM 181 N ILE A 12 100.832 -0.640 -0.644 1.00 0.00 N ATOM 182 CA ILE A 12 99.684 -1.420 -1.100 1.00 0.00 C ATOM 183 C ILE A 12 99.016 -0.733 -2.283 1.00 0.00 C ATOM 184 O ILE A 12 99.390 0.379 -2.660 1.00 0.00 O ATOM 185 CB ILE A 12 98.671 -1.601 0.036 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.163 -0.230 0.501 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.340 -2.330 1.207 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.929 -0.411 1.387 1.00 0.00 C ATOM 0 H ILE A 12 100.692 -0.144 0.236 1.00 0.00 H new ATOM 0 HA ILE A 12 100.039 -2.402 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 12 97.828 -2.191 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.946 0.291 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.916 0.389 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.620 -2.459 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.691 -3.307 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.186 -1.743 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.571 0.565 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.145 -0.914 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.191 -1.013 2.257 1.00 0.00 H new ATOM 200 N PHE A 13 98.021 -1.397 -2.864 1.00 0.00 N ATOM 201 CA PHE A 13 97.306 -0.834 -4.000 1.00 0.00 C ATOM 202 C PHE A 13 95.835 -0.668 -3.664 1.00 0.00 C ATOM 203 O PHE A 13 95.197 -1.592 -3.166 1.00 0.00 O ATOM 204 CB PHE A 13 97.464 -1.738 -5.226 1.00 0.00 C ATOM 205 CG PHE A 13 98.713 -1.346 -5.983 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.952 -1.893 -5.626 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.631 -0.434 -7.043 1.00 0.00 C ATOM 208 CE1 PHE A 13 101.107 -1.527 -6.329 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.785 -0.070 -7.745 1.00 0.00 C ATOM 210 CZ PHE A 13 101.024 -0.617 -7.387 1.00 0.00 C ATOM 0 H PHE A 13 97.695 -2.317 -2.569 1.00 0.00 H new ATOM 0 HA PHE A 13 97.729 0.145 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.526 -2.781 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.591 -1.648 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 13 100.017 -2.597 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.676 -0.011 -7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 13 102.063 -1.948 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 13 99.721 0.633 -8.563 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.915 -0.336 -7.928 1.00 0.00 H new ATOM 220 N ALA A 14 95.310 0.520 -3.940 1.00 0.00 N ATOM 221 CA ALA A 14 93.911 0.815 -3.668 1.00 0.00 C ATOM 222 C ALA A 14 93.189 1.173 -4.960 1.00 0.00 C ATOM 223 O ALA A 14 93.655 2.013 -5.731 1.00 0.00 O ATOM 224 CB ALA A 14 93.803 1.977 -2.678 1.00 0.00 C ATOM 0 H ALA A 14 95.833 1.293 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 14 93.445 -0.070 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.752 2.190 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.300 1.708 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.280 2.861 -3.101 1.00 0.00 H new ATOM 230 N LYS A 15 92.048 0.534 -5.184 1.00 0.00 N ATOM 231 CA LYS A 15 91.258 0.792 -6.381 1.00 0.00 C ATOM 232 C LYS A 15 89.995 1.563 -6.021 1.00 0.00 C ATOM 233 O LYS A 15 89.536 1.517 -4.883 1.00 0.00 O ATOM 234 CB LYS A 15 90.879 -0.526 -7.062 1.00 0.00 C ATOM 235 CG LYS A 15 90.541 -0.260 -8.534 1.00 0.00 C ATOM 236 CD LYS A 15 91.748 -0.606 -9.413 1.00 0.00 C ATOM 237 CE LYS A 15 91.900 -2.127 -9.510 1.00 0.00 C ATOM 238 NZ LYS A 15 92.493 -2.482 -10.829 1.00 0.00 N ATOM 0 H LYS A 15 91.650 -0.164 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 15 91.858 1.388 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.703 -1.236 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.025 -0.977 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.679 -0.856 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.268 0.786 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.619 -0.180 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.653 -0.167 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 15 92.535 -2.492 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.929 -2.609 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 92.597 -3.515 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 91.870 -2.146 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 93.427 -2.033 -10.922 1.00 0.00 H new ATOM 252 N THR A 16 89.436 2.258 -7.003 1.00 0.00 N ATOM 253 CA THR A 16 88.216 3.024 -6.783 1.00 0.00 C ATOM 254 C THR A 16 87.059 2.413 -7.559 1.00 0.00 C ATOM 255 O THR A 16 87.266 1.608 -8.468 1.00 0.00 O ATOM 256 CB THR A 16 88.412 4.479 -7.216 1.00 0.00 C ATOM 257 OG1 THR A 16 88.667 4.530 -8.611 1.00 0.00 O ATOM 258 CG2 THR A 16 89.588 5.089 -6.450 1.00 0.00 C ATOM 0 H THR A 16 89.804 2.307 -7.953 1.00 0.00 H new ATOM 0 HA THR A 16 87.985 2.998 -5.718 1.00 0.00 H new ATOM 0 HB THR A 16 87.508 5.048 -6.996 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.945 5.020 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.726 6.125 -6.760 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.382 5.054 -5.380 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.494 4.523 -6.664 1.00 0.00 H new ATOM 266 N LEU A 17 85.842 2.807 -7.199 1.00 0.00 N ATOM 267 CA LEU A 17 84.652 2.302 -7.874 1.00 0.00 C ATOM 268 C LEU A 17 84.776 2.536 -9.378 1.00 0.00 C ATOM 269 O LEU A 17 84.522 1.636 -10.180 1.00 0.00 O ATOM 270 CB LEU A 17 83.408 3.016 -7.318 1.00 0.00 C ATOM 271 CG LEU A 17 82.120 2.465 -7.957 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.002 2.935 -9.411 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.124 0.933 -7.908 1.00 0.00 C ATOM 0 H LEU A 17 85.654 3.471 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 17 84.554 1.231 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.365 2.888 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.483 4.086 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 17 81.265 2.841 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.086 2.537 -9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 17 81.975 4.024 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.861 2.578 -9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.209 0.552 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 17 82.986 0.554 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.179 0.602 -6.871 1.00 0.00 H new ATOM 285 N THR A 18 85.179 3.750 -9.747 1.00 0.00 N ATOM 286 CA THR A 18 85.345 4.104 -11.153 1.00 0.00 C ATOM 287 C THR A 18 86.466 3.285 -11.791 1.00 0.00 C ATOM 288 O THR A 18 86.507 3.116 -13.010 1.00 0.00 O ATOM 289 CB THR A 18 85.659 5.597 -11.279 1.00 0.00 C ATOM 290 OG1 THR A 18 86.831 5.896 -10.532 1.00 0.00 O ATOM 291 CG2 THR A 18 84.483 6.415 -10.737 1.00 0.00 C ATOM 0 H THR A 18 85.396 4.502 -9.093 1.00 0.00 H new ATOM 0 HA THR A 18 84.415 3.882 -11.676 1.00 0.00 H new ATOM 0 HB THR A 18 85.821 5.849 -12.327 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.035 6.851 -10.612 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.707 7.478 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.585 6.184 -11.309 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.319 6.166 -9.688 1.00 0.00 H new ATOM 299 N GLY A 19 87.368 2.769 -10.956 1.00 0.00 N ATOM 300 CA GLY A 19 88.483 1.956 -11.444 1.00 0.00 C ATOM 301 C GLY A 19 89.786 2.753 -11.500 1.00 0.00 C ATOM 302 O GLY A 19 90.502 2.714 -12.501 1.00 0.00 O ATOM 0 H GLY A 19 87.349 2.898 -9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.614 1.091 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.247 1.575 -12.438 1.00 0.00 H new ATOM 306 N LYS A 20 90.090 3.465 -10.417 1.00 0.00 N ATOM 307 CA LYS A 20 91.317 4.260 -10.345 1.00 0.00 C ATOM 308 C LYS A 20 92.338 3.577 -9.437 1.00 0.00 C ATOM 309 O LYS A 20 92.012 3.172 -8.322 1.00 0.00 O ATOM 310 CB LYS A 20 91.003 5.660 -9.808 1.00 0.00 C ATOM 311 CG LYS A 20 92.109 6.637 -10.226 1.00 0.00 C ATOM 312 CD LYS A 20 92.698 7.316 -8.985 1.00 0.00 C ATOM 313 CE LYS A 20 93.432 8.593 -9.402 1.00 0.00 C ATOM 314 NZ LYS A 20 94.450 8.265 -10.438 1.00 0.00 N ATOM 0 H LYS A 20 89.508 3.509 -9.581 1.00 0.00 H new ATOM 0 HA LYS A 20 91.736 4.345 -11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.041 5.999 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.921 5.633 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.892 6.105 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.706 7.388 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 20 91.905 7.555 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.385 6.638 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 20 92.722 9.322 -9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.913 9.048 -8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.142 9.039 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 94.939 7.384 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 93.982 8.142 -11.358 1.00 0.00 H new ATOM 328 N THR A 21 93.571 3.448 -9.924 1.00 0.00 N ATOM 329 CA THR A 21 94.632 2.801 -9.153 1.00 0.00 C ATOM 330 C THR A 21 95.390 3.820 -8.300 1.00 0.00 C ATOM 331 O THR A 21 95.831 4.855 -8.800 1.00 0.00 O ATOM 332 CB THR A 21 95.607 2.105 -10.108 1.00 0.00 C ATOM 333 OG1 THR A 21 94.873 1.425 -11.117 1.00 0.00 O ATOM 334 CG2 THR A 21 96.463 1.101 -9.334 1.00 0.00 C ATOM 0 H THR A 21 93.859 3.781 -10.844 1.00 0.00 H new ATOM 0 HA THR A 21 94.176 2.067 -8.488 1.00 0.00 H new ATOM 0 HB THR A 21 96.257 2.850 -10.567 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.495 0.980 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.155 0.609 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.027 1.623 -8.561 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.818 0.354 -8.870 1.00 0.00 H new ATOM 342 N ILE A 22 95.538 3.510 -7.010 1.00 0.00 N ATOM 343 CA ILE A 22 96.249 4.396 -6.085 1.00 0.00 C ATOM 344 C ILE A 22 97.245 3.596 -5.244 1.00 0.00 C ATOM 345 O ILE A 22 96.880 2.596 -4.625 1.00 0.00 O ATOM 346 CB ILE A 22 95.255 5.102 -5.151 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.168 5.804 -5.976 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.999 6.139 -4.301 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.789 5.395 -5.455 1.00 0.00 C ATOM 0 H ILE A 22 95.177 2.657 -6.584 1.00 0.00 H new ATOM 0 HA ILE A 22 96.786 5.141 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 22 94.789 4.361 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.288 6.885 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.265 5.536 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.293 6.640 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.764 5.640 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.469 6.875 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.016 5.893 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.672 4.315 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 22 92.695 5.685 -4.409 1.00 0.00 H new ATOM 361 N THR A 23 98.498 4.047 -5.221 1.00 0.00 N ATOM 362 CA THR A 23 99.537 3.368 -4.446 1.00 0.00 C ATOM 363 C THR A 23 99.919 4.200 -3.223 1.00 0.00 C ATOM 364 O THR A 23 100.220 5.389 -3.340 1.00 0.00 O ATOM 365 CB THR A 23 100.774 3.133 -5.318 1.00 0.00 C ATOM 366 OG1 THR A 23 100.366 2.762 -6.628 1.00 0.00 O ATOM 367 CG2 THR A 23 101.628 2.015 -4.713 1.00 0.00 C ATOM 0 H THR A 23 98.818 4.874 -5.726 1.00 0.00 H new ATOM 0 HA THR A 23 99.146 2.407 -4.111 1.00 0.00 H new ATOM 0 HB THR A 23 101.362 4.050 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.263 1.789 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.507 1.851 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.943 2.300 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.043 1.097 -4.662 1.00 0.00 H new ATOM 375 N LEU A 24 99.901 3.564 -2.051 1.00 0.00 N ATOM 376 CA LEU A 24 100.245 4.251 -0.806 1.00 0.00 C ATOM 377 C LEU A 24 101.216 3.413 0.021 1.00 0.00 C ATOM 378 O LEU A 24 101.079 2.190 0.105 1.00 0.00 O ATOM 379 CB LEU A 24 98.985 4.537 0.028 1.00 0.00 C ATOM 380 CG LEU A 24 97.721 4.280 -0.802 1.00 0.00 C ATOM 381 CD1 LEU A 24 97.300 2.816 -0.666 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.593 5.185 -0.300 1.00 0.00 C ATOM 0 H LEU A 24 99.654 2.581 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 24 100.720 5.196 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.979 3.905 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.997 5.571 0.373 1.00 0.00 H new ATOM 0 HG LEU A 24 97.927 4.497 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.402 2.639 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 24 98.103 2.172 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 24 97.095 2.592 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 24 95.693 5.005 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.391 4.967 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 24 96.891 6.229 -0.403 1.00 0.00 H new ATOM 394 N GLU A 25 102.190 4.084 0.636 1.00 0.00 N ATOM 395 CA GLU A 25 103.180 3.402 1.464 1.00 0.00 C ATOM 396 C GLU A 25 102.627 3.151 2.864 1.00 0.00 C ATOM 397 O GLU A 25 102.660 4.031 3.725 1.00 0.00 O ATOM 398 CB GLU A 25 104.458 4.243 1.554 1.00 0.00 C ATOM 399 CG GLU A 25 105.584 3.408 2.173 1.00 0.00 C ATOM 400 CD GLU A 25 106.832 3.472 1.296 1.00 0.00 C ATOM 401 OE1 GLU A 25 107.505 4.490 1.329 1.00 0.00 O ATOM 402 OE2 GLU A 25 107.100 2.501 0.606 1.00 0.00 O ATOM 0 H GLU A 25 102.313 5.095 0.576 1.00 0.00 H new ATOM 0 HA GLU A 25 103.413 2.442 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.750 4.586 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.278 5.132 2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.814 3.778 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 25 105.261 2.373 2.283 1.00 0.00 H new ATOM 409 N VAL A 26 102.113 1.944 3.074 1.00 0.00 N ATOM 410 CA VAL A 26 101.544 1.574 4.367 1.00 0.00 C ATOM 411 C VAL A 26 102.306 0.403 4.983 1.00 0.00 C ATOM 412 O VAL A 26 103.273 -0.098 4.408 1.00 0.00 O ATOM 413 CB VAL A 26 100.065 1.199 4.201 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.333 2.311 3.441 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.949 -0.113 3.418 1.00 0.00 C ATOM 0 H VAL A 26 102.078 1.207 2.370 1.00 0.00 H new ATOM 0 HA VAL A 26 101.629 2.431 5.035 1.00 0.00 H new ATOM 0 HB VAL A 26 99.615 1.075 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.283 2.042 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.409 3.244 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.786 2.439 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.898 -0.376 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.403 0.009 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.464 -0.907 3.959 1.00 0.00 H new ATOM 425 N GLU A 27 101.850 -0.027 6.156 1.00 0.00 N ATOM 426 CA GLU A 27 102.474 -1.143 6.860 1.00 0.00 C ATOM 427 C GLU A 27 101.620 -2.396 6.703 1.00 0.00 C ATOM 428 O GLU A 27 100.420 -2.308 6.462 1.00 0.00 O ATOM 429 CB GLU A 27 102.636 -0.800 8.344 1.00 0.00 C ATOM 430 CG GLU A 27 103.399 0.523 8.486 1.00 0.00 C ATOM 431 CD GLU A 27 104.811 0.382 7.922 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.658 -0.151 8.623 1.00 0.00 O ATOM 433 OE2 GLU A 27 105.025 0.808 6.798 1.00 0.00 O ATOM 0 H GLU A 27 101.050 0.381 6.639 1.00 0.00 H new ATOM 0 HA GLU A 27 103.459 -1.329 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.658 -0.720 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 27 103.174 -1.598 8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 27 102.867 1.316 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.446 0.813 9.536 1.00 0.00 H new ATOM 440 N SER A 28 102.243 -3.564 6.833 1.00 0.00 N ATOM 441 CA SER A 28 101.520 -4.826 6.692 1.00 0.00 C ATOM 442 C SER A 28 100.417 -4.953 7.737 1.00 0.00 C ATOM 443 O SER A 28 99.476 -5.723 7.561 1.00 0.00 O ATOM 444 CB SER A 28 102.491 -5.999 6.829 1.00 0.00 C ATOM 445 OG SER A 28 103.058 -5.991 8.134 1.00 0.00 O ATOM 0 H SER A 28 103.238 -3.664 7.034 1.00 0.00 H new ATOM 0 HA SER A 28 101.059 -4.841 5.704 1.00 0.00 H new ATOM 0 HB2 SER A 28 101.970 -6.940 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 28 103.277 -5.924 6.078 1.00 0.00 H new ATOM 0 HG SER A 28 103.680 -6.743 8.225 1.00 0.00 H new ATOM 451 N SER A 29 100.563 -4.226 8.841 1.00 0.00 N ATOM 452 CA SER A 29 99.599 -4.283 9.935 1.00 0.00 C ATOM 453 C SER A 29 98.885 -2.947 10.124 1.00 0.00 C ATOM 454 O SER A 29 98.093 -2.790 11.055 1.00 0.00 O ATOM 455 CB SER A 29 100.320 -4.659 11.234 1.00 0.00 C ATOM 456 OG SER A 29 101.346 -5.601 10.949 1.00 0.00 O ATOM 0 H SER A 29 101.343 -3.588 9.002 1.00 0.00 H new ATOM 0 HA SER A 29 98.852 -5.036 9.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.747 -3.769 11.697 1.00 0.00 H new ATOM 0 HB3 SER A 29 99.612 -5.081 11.947 1.00 0.00 H new ATOM 0 HG SER A 29 101.178 -6.428 11.447 1.00 0.00 H new ATOM 462 N ASP A 30 99.168 -1.984 9.245 1.00 0.00 N ATOM 463 CA ASP A 30 98.543 -0.664 9.337 1.00 0.00 C ATOM 464 C ASP A 30 97.029 -0.788 9.497 1.00 0.00 C ATOM 465 O ASP A 30 96.446 -1.826 9.187 1.00 0.00 O ATOM 466 CB ASP A 30 98.861 0.153 8.078 1.00 0.00 C ATOM 467 CG ASP A 30 99.489 1.492 8.459 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.994 2.118 9.382 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.454 1.874 7.819 1.00 0.00 O ATOM 0 H ASP A 30 99.820 -2.092 8.468 1.00 0.00 H new ATOM 0 HA ASP A 30 98.945 -0.156 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.542 -0.406 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.949 0.321 7.506 1.00 0.00 H new ATOM 474 N THR A 31 96.396 0.279 9.978 1.00 0.00 N ATOM 475 CA THR A 31 94.948 0.274 10.169 1.00 0.00 C ATOM 476 C THR A 31 94.254 0.961 8.999 1.00 0.00 C ATOM 477 O THR A 31 94.866 1.750 8.279 1.00 0.00 O ATOM 478 CB THR A 31 94.578 0.988 11.476 1.00 0.00 C ATOM 479 OG1 THR A 31 94.651 2.395 11.288 1.00 0.00 O ATOM 480 CG2 THR A 31 95.544 0.570 12.589 1.00 0.00 C ATOM 0 H THR A 31 96.857 1.150 10.240 1.00 0.00 H new ATOM 0 HA THR A 31 94.615 -0.763 10.222 1.00 0.00 H new ATOM 0 HB THR A 31 93.563 0.711 11.759 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.413 2.849 12.123 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.276 1.080 13.514 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.483 -0.508 12.738 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.562 0.840 12.308 1.00 0.00 H new ATOM 488 N ILE A 32 92.971 0.654 8.818 1.00 0.00 N ATOM 489 CA ILE A 32 92.192 1.246 7.735 1.00 0.00 C ATOM 490 C ILE A 32 92.306 2.767 7.764 1.00 0.00 C ATOM 491 O ILE A 32 92.558 3.396 6.737 1.00 0.00 O ATOM 492 CB ILE A 32 90.723 0.835 7.865 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.603 -0.697 7.811 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.906 1.455 6.725 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.275 -1.237 6.545 1.00 0.00 C ATOM 0 H ILE A 32 92.452 0.001 9.405 1.00 0.00 H new ATOM 0 HA ILE A 32 92.586 0.884 6.786 1.00 0.00 H new ATOM 0 HB ILE A 32 90.337 1.193 8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 32 91.068 -1.137 8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.552 -0.987 7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.862 1.159 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.981 2.541 6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.294 1.106 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 32 91.183 -2.323 6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.791 -0.811 5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.330 -0.962 6.548 1.00 0.00 H new ATOM 507 N ASP A 33 92.116 3.354 8.946 1.00 0.00 N ATOM 508 CA ASP A 33 92.199 4.806 9.093 1.00 0.00 C ATOM 509 C ASP A 33 93.463 5.345 8.427 1.00 0.00 C ATOM 510 O ASP A 33 93.408 6.310 7.665 1.00 0.00 O ATOM 511 CB ASP A 33 92.199 5.182 10.578 1.00 0.00 C ATOM 512 CG ASP A 33 91.492 6.522 10.773 1.00 0.00 C ATOM 513 OD1 ASP A 33 90.283 6.515 10.933 1.00 0.00 O ATOM 514 OD2 ASP A 33 92.173 7.534 10.757 1.00 0.00 O ATOM 0 H ASP A 33 91.905 2.851 9.808 1.00 0.00 H new ATOM 0 HA ASP A 33 91.331 5.251 8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.697 4.408 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.223 5.244 10.947 1.00 0.00 H new ATOM 519 N ASN A 34 94.597 4.710 8.716 1.00 0.00 N ATOM 520 CA ASN A 34 95.869 5.127 8.134 1.00 0.00 C ATOM 521 C ASN A 34 95.828 4.966 6.618 1.00 0.00 C ATOM 522 O ASN A 34 96.250 5.851 5.875 1.00 0.00 O ATOM 523 CB ASN A 34 97.009 4.282 8.706 1.00 0.00 C ATOM 524 CG ASN A 34 98.354 4.870 8.289 1.00 0.00 C ATOM 525 OD1 ASN A 34 99.017 4.333 7.402 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.795 5.947 8.878 1.00 0.00 N ATOM 0 H ASN A 34 94.661 3.910 9.346 1.00 0.00 H new ATOM 0 HA ASN A 34 96.039 6.175 8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.938 4.249 9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 34 96.926 3.255 8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.692 6.347 8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.243 6.389 9.613 1.00 0.00 H new ATOM 533 N VAL A 35 95.302 3.829 6.176 1.00 0.00 N ATOM 534 CA VAL A 35 95.186 3.549 4.749 1.00 0.00 C ATOM 535 C VAL A 35 94.370 4.650 4.073 1.00 0.00 C ATOM 536 O VAL A 35 94.766 5.186 3.034 1.00 0.00 O ATOM 537 CB VAL A 35 94.513 2.189 4.530 1.00 0.00 C ATOM 538 CG1 VAL A 35 94.391 1.908 3.030 1.00 0.00 C ATOM 539 CG2 VAL A 35 95.355 1.086 5.183 1.00 0.00 C ATOM 0 H VAL A 35 94.950 3.088 6.783 1.00 0.00 H new ATOM 0 HA VAL A 35 96.183 3.521 4.310 1.00 0.00 H new ATOM 0 HB VAL A 35 93.520 2.206 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.912 0.941 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.790 2.687 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 35 95.384 1.896 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.874 0.120 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 35 96.349 1.074 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.441 1.279 6.252 1.00 0.00 H new ATOM 549 N LYS A 36 93.236 4.992 4.681 1.00 0.00 N ATOM 550 CA LYS A 36 92.375 6.039 4.147 1.00 0.00 C ATOM 551 C LYS A 36 93.137 7.356 4.075 1.00 0.00 C ATOM 552 O LYS A 36 93.336 7.903 2.995 1.00 0.00 O ATOM 553 CB LYS A 36 91.136 6.200 5.029 1.00 0.00 C ATOM 554 CG LYS A 36 90.229 4.976 4.868 1.00 0.00 C ATOM 555 CD LYS A 36 89.212 4.930 6.014 1.00 0.00 C ATOM 556 CE LYS A 36 88.428 6.245 6.064 1.00 0.00 C ATOM 557 NZ LYS A 36 87.033 5.976 6.513 1.00 0.00 N ATOM 0 H LYS A 36 92.895 4.560 5.540 1.00 0.00 H new ATOM 0 HA LYS A 36 92.060 5.757 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.432 6.312 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.595 7.105 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.710 5.020 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.828 4.066 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.528 4.093 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 36 89.725 4.765 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 36 88.912 6.944 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 36 88.420 6.714 5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 86.654 6.817 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 86.440 5.751 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 87.029 5.171 7.172 1.00 0.00 H new ATOM 571 N SER A 37 93.569 7.859 5.232 1.00 0.00 N ATOM 572 CA SER A 37 94.320 9.113 5.274 1.00 0.00 C ATOM 573 C SER A 37 95.399 9.108 4.195 1.00 0.00 C ATOM 574 O SER A 37 95.553 10.076 3.447 1.00 0.00 O ATOM 575 CB SER A 37 94.962 9.297 6.652 1.00 0.00 C ATOM 576 OG SER A 37 95.703 8.133 6.988 1.00 0.00 O ATOM 0 H SER A 37 93.414 7.424 6.141 1.00 0.00 H new ATOM 0 HA SER A 37 93.635 9.941 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.616 10.169 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.193 9.480 7.402 1.00 0.00 H new ATOM 0 HG SER A 37 95.480 7.412 6.363 1.00 0.00 H new ATOM 582 N LYS A 38 96.133 7.999 4.112 1.00 0.00 N ATOM 583 CA LYS A 38 97.184 7.860 3.110 1.00 0.00 C ATOM 584 C LYS A 38 96.640 8.245 1.737 1.00 0.00 C ATOM 585 O LYS A 38 97.330 8.880 0.943 1.00 0.00 O ATOM 586 CB LYS A 38 97.696 6.414 3.073 1.00 0.00 C ATOM 587 CG LYS A 38 99.186 6.374 3.436 1.00 0.00 C ATOM 588 CD LYS A 38 99.349 6.433 4.958 1.00 0.00 C ATOM 589 CE LYS A 38 100.736 5.912 5.347 1.00 0.00 C ATOM 590 NZ LYS A 38 100.963 6.140 6.802 1.00 0.00 N ATOM 0 H LYS A 38 96.019 7.190 4.723 1.00 0.00 H new ATOM 0 HA LYS A 38 98.010 8.521 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.127 5.800 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.544 5.991 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.640 5.463 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.706 7.212 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 38 99.223 7.458 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 38 98.576 5.834 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 38 100.814 4.849 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.504 6.421 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 101.984 6.196 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.509 7.031 7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 100.554 5.353 7.345 1.00 0.00 H new ATOM 604 N ILE A 39 95.391 7.861 1.476 1.00 0.00 N ATOM 605 CA ILE A 39 94.750 8.173 0.201 1.00 0.00 C ATOM 606 C ILE A 39 94.569 9.685 0.048 1.00 0.00 C ATOM 607 O ILE A 39 94.809 10.235 -1.026 1.00 0.00 O ATOM 608 CB ILE A 39 93.392 7.446 0.103 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.224 6.848 -1.304 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.227 8.409 0.385 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.329 7.950 -2.363 1.00 0.00 C ATOM 0 H ILE A 39 94.806 7.336 2.127 1.00 0.00 H new ATOM 0 HA ILE A 39 95.390 7.826 -0.610 1.00 0.00 H new ATOM 0 HB ILE A 39 93.378 6.653 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.989 6.091 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.258 6.349 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.283 7.870 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.330 8.821 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.241 9.220 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.208 7.514 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.548 8.692 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.305 8.429 -2.294 1.00 0.00 H new ATOM 623 N GLN A 40 94.140 10.350 1.123 1.00 0.00 N ATOM 624 CA GLN A 40 93.927 11.796 1.081 1.00 0.00 C ATOM 625 C GLN A 40 95.206 12.519 0.672 1.00 0.00 C ATOM 626 O GLN A 40 95.158 13.597 0.090 1.00 0.00 O ATOM 627 CB GLN A 40 93.434 12.299 2.448 1.00 0.00 C ATOM 628 CG GLN A 40 94.591 12.890 3.262 1.00 0.00 C ATOM 629 CD GLN A 40 94.215 12.941 4.739 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.242 13.599 5.111 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.932 12.283 5.607 1.00 0.00 N ATOM 0 H GLN A 40 93.936 9.915 2.023 1.00 0.00 H new ATOM 0 HA GLN A 40 93.163 12.012 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.661 13.054 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.978 11.477 3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.488 12.285 3.127 1.00 0.00 H new ATOM 0 HG3 GLN A 40 94.825 13.892 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 40 95.737 11.739 5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.688 12.312 6.597 1.00 0.00 H new ATOM 640 N ASP A 41 96.352 11.916 0.962 1.00 0.00 N ATOM 641 CA ASP A 41 97.623 12.528 0.588 1.00 0.00 C ATOM 642 C ASP A 41 97.832 12.401 -0.920 1.00 0.00 C ATOM 643 O ASP A 41 98.529 13.211 -1.534 1.00 0.00 O ATOM 644 CB ASP A 41 98.776 11.848 1.334 1.00 0.00 C ATOM 645 CG ASP A 41 100.114 12.397 0.839 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.439 13.519 1.191 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.792 11.688 0.113 1.00 0.00 O ATOM 0 H ASP A 41 96.430 11.021 1.445 1.00 0.00 H new ATOM 0 HA ASP A 41 97.603 13.583 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.678 12.019 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.736 10.770 1.178 1.00 0.00 H new ATOM 652 N LYS A 42 97.232 11.362 -1.499 1.00 0.00 N ATOM 653 CA LYS A 42 97.360 11.103 -2.932 1.00 0.00 C ATOM 654 C LYS A 42 96.233 11.754 -3.739 1.00 0.00 C ATOM 655 O LYS A 42 96.478 12.273 -4.829 1.00 0.00 O ATOM 656 CB LYS A 42 97.360 9.593 -3.197 1.00 0.00 C ATOM 657 CG LYS A 42 98.229 8.874 -2.159 1.00 0.00 C ATOM 658 CD LYS A 42 99.669 9.395 -2.231 1.00 0.00 C ATOM 659 CE LYS A 42 100.559 8.576 -1.293 1.00 0.00 C ATOM 660 NZ LYS A 42 100.196 8.867 0.123 1.00 0.00 N ATOM 0 H LYS A 42 96.653 10.687 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 42 98.304 11.542 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.341 9.209 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.737 9.392 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 42 97.825 9.035 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.213 7.799 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 42 100.041 9.326 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.700 10.448 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.439 7.512 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 42 101.607 8.818 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 100.779 8.284 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 100.364 9.873 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 99.191 8.647 0.276 1.00 0.00 H new ATOM 674 N GLU A 43 95.000 11.700 -3.229 1.00 0.00 N ATOM 675 CA GLU A 43 93.859 12.265 -3.957 1.00 0.00 C ATOM 676 C GLU A 43 93.173 13.396 -3.184 1.00 0.00 C ATOM 677 O GLU A 43 92.150 13.920 -3.630 1.00 0.00 O ATOM 678 CB GLU A 43 92.840 11.158 -4.241 1.00 0.00 C ATOM 679 CG GLU A 43 93.403 10.194 -5.288 1.00 0.00 C ATOM 680 CD GLU A 43 92.262 9.439 -5.964 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.866 8.409 -5.442 1.00 0.00 O ATOM 682 OE2 GLU A 43 91.798 9.902 -6.993 1.00 0.00 O ATOM 0 H GLU A 43 94.767 11.278 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 43 94.241 12.687 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.610 10.618 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.906 11.593 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.977 10.746 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 43 94.088 9.490 -4.816 1.00 0.00 H new ATOM 689 N GLY A 44 93.737 13.781 -2.044 1.00 0.00 N ATOM 690 CA GLY A 44 93.159 14.865 -1.246 1.00 0.00 C ATOM 691 C GLY A 44 91.933 14.393 -0.470 1.00 0.00 C ATOM 692 O GLY A 44 91.756 14.740 0.699 1.00 0.00 O ATOM 0 H GLY A 44 94.583 13.367 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.907 15.246 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.881 15.692 -1.900 1.00 0.00 H new ATOM 696 N ILE A 45 91.088 13.610 -1.139 1.00 0.00 N ATOM 697 CA ILE A 45 89.863 13.088 -0.531 1.00 0.00 C ATOM 698 C ILE A 45 90.087 12.709 0.934 1.00 0.00 C ATOM 699 O ILE A 45 90.898 11.834 1.234 1.00 0.00 O ATOM 700 CB ILE A 45 89.380 11.850 -1.298 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.584 12.050 -2.810 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.895 11.615 -1.005 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.853 13.312 -3.282 1.00 0.00 C ATOM 0 H ILE A 45 91.230 13.322 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 45 89.110 13.874 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 45 89.957 10.984 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 45 90.648 12.133 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.211 11.181 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.551 10.736 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.756 11.457 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.320 12.485 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 45 89.006 13.442 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 45 87.787 13.213 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 45 89.246 14.180 -2.752 1.00 0.00 H new ATOM 715 N PRO A 46 89.382 13.341 1.843 1.00 0.00 N ATOM 716 CA PRO A 46 89.517 13.049 3.295 1.00 0.00 C ATOM 717 C PRO A 46 88.936 11.682 3.655 1.00 0.00 C ATOM 718 O PRO A 46 87.926 11.261 3.090 1.00 0.00 O ATOM 719 CB PRO A 46 88.746 14.175 4.001 1.00 0.00 C ATOM 720 CG PRO A 46 88.203 15.079 2.936 1.00 0.00 C ATOM 721 CD PRO A 46 88.386 14.387 1.585 1.00 0.00 C ATOM 0 HA PRO A 46 90.563 13.012 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.937 13.766 4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 46 89.402 14.726 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 46 87.149 15.289 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 46 88.725 16.036 2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.448 13.963 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.732 15.086 0.824 1.00 0.00 H new ATOM 729 N PRO A 47 89.559 10.988 4.577 1.00 0.00 N ATOM 730 CA PRO A 47 89.107 9.639 5.023 1.00 0.00 C ATOM 731 C PRO A 47 87.603 9.593 5.305 1.00 0.00 C ATOM 732 O PRO A 47 86.945 8.585 5.049 1.00 0.00 O ATOM 733 CB PRO A 47 89.903 9.370 6.311 1.00 0.00 C ATOM 734 CG PRO A 47 90.763 10.571 6.561 1.00 0.00 C ATOM 735 CD PRO A 47 90.768 11.414 5.289 1.00 0.00 C ATOM 0 HA PRO A 47 89.280 8.890 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.229 9.198 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 47 90.515 8.474 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.377 11.149 7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 47 91.777 10.267 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.743 12.480 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.665 11.236 4.695 1.00 0.00 H new ATOM 743 N ASP A 48 87.073 10.694 5.836 1.00 0.00 N ATOM 744 CA ASP A 48 85.649 10.778 6.158 1.00 0.00 C ATOM 745 C ASP A 48 84.790 10.486 4.927 1.00 0.00 C ATOM 746 O ASP A 48 83.697 9.932 5.042 1.00 0.00 O ATOM 747 CB ASP A 48 85.324 12.176 6.695 1.00 0.00 C ATOM 748 CG ASP A 48 83.819 12.325 6.904 1.00 0.00 C ATOM 749 OD1 ASP A 48 83.296 11.673 7.794 1.00 0.00 O ATOM 750 OD2 ASP A 48 83.212 13.088 6.173 1.00 0.00 O ATOM 0 H ASP A 48 87.605 11.537 6.052 1.00 0.00 H new ATOM 0 HA ASP A 48 85.424 10.030 6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.847 12.342 7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 48 85.678 12.933 5.996 1.00 0.00 H new ATOM 755 N GLN A 49 85.295 10.862 3.755 1.00 0.00 N ATOM 756 CA GLN A 49 84.570 10.638 2.507 1.00 0.00 C ATOM 757 C GLN A 49 85.029 9.342 1.842 1.00 0.00 C ATOM 758 O GLN A 49 84.376 8.838 0.928 1.00 0.00 O ATOM 759 CB GLN A 49 84.802 11.816 1.555 1.00 0.00 C ATOM 760 CG GLN A 49 83.715 11.837 0.474 1.00 0.00 C ATOM 761 CD GLN A 49 84.286 12.380 -0.832 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.445 11.634 -1.798 1.00 0.00 O ATOM 763 NE2 GLN A 49 84.608 13.642 -0.918 1.00 0.00 N ATOM 0 H GLN A 49 86.199 11.321 3.643 1.00 0.00 H new ATOM 0 HA GLN A 49 83.507 10.556 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 49 84.791 12.753 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.785 11.732 1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.325 10.831 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 49 82.879 12.456 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 49 84.475 14.258 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 49 84.992 14.012 -1.787 1.00 0.00 H new ATOM 772 N GLN A 50 86.161 8.813 2.298 1.00 0.00 N ATOM 773 CA GLN A 50 86.700 7.581 1.730 1.00 0.00 C ATOM 774 C GLN A 50 86.201 6.357 2.492 1.00 0.00 C ATOM 775 O GLN A 50 86.425 6.224 3.696 1.00 0.00 O ATOM 776 CB GLN A 50 88.231 7.617 1.763 1.00 0.00 C ATOM 777 CG GLN A 50 88.740 8.714 0.822 1.00 0.00 C ATOM 778 CD GLN A 50 88.751 8.212 -0.621 1.00 0.00 C ATOM 779 OE1 GLN A 50 87.827 7.519 -1.047 1.00 0.00 O ATOM 780 NE2 GLN A 50 89.744 8.526 -1.406 1.00 0.00 N ATOM 0 H GLN A 50 86.719 9.214 3.052 1.00 0.00 H new ATOM 0 HA GLN A 50 86.356 7.507 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.579 7.805 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 50 88.634 6.650 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.104 9.596 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 50 89.745 9.018 1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.510 9.100 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 50 89.754 8.197 -2.372 1.00 0.00 H new ATOM 789 N ARG A 51 85.534 5.461 1.769 1.00 0.00 N ATOM 790 CA ARG A 51 85.008 4.232 2.355 1.00 0.00 C ATOM 791 C ARG A 51 85.735 3.033 1.750 1.00 0.00 C ATOM 792 O ARG A 51 86.132 3.073 0.586 1.00 0.00 O ATOM 793 CB ARG A 51 83.503 4.137 2.082 1.00 0.00 C ATOM 794 CG ARG A 51 82.890 3.013 2.920 1.00 0.00 C ATOM 795 CD ARG A 51 81.363 3.105 2.860 1.00 0.00 C ATOM 796 NE ARG A 51 80.813 3.332 4.193 1.00 0.00 N ATOM 797 CZ ARG A 51 80.118 2.388 4.822 1.00 0.00 C ATOM 798 NH1 ARG A 51 80.662 1.228 5.060 1.00 0.00 N ATOM 799 NH2 ARG A 51 78.890 2.624 5.198 1.00 0.00 N ATOM 0 H ARG A 51 85.345 5.564 0.772 1.00 0.00 H new ATOM 0 HA ARG A 51 85.169 4.238 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.021 5.085 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.328 3.949 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.221 2.044 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.229 3.089 3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.067 3.916 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 51 80.953 2.185 2.443 1.00 0.00 H new ATOM 0 HE ARG A 51 80.964 4.231 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 51 81.621 1.044 4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 51 80.129 0.504 5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 51 78.464 3.532 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 51 78.356 1.901 5.680 1.00 0.00 H new ATOM 813 N LEU A 52 85.922 1.972 2.538 1.00 0.00 N ATOM 814 CA LEU A 52 86.625 0.784 2.049 1.00 0.00 C ATOM 815 C LEU A 52 85.712 -0.439 2.056 1.00 0.00 C ATOM 816 O LEU A 52 85.321 -0.925 3.117 1.00 0.00 O ATOM 817 CB LEU A 52 87.846 0.503 2.938 1.00 0.00 C ATOM 818 CG LEU A 52 89.121 1.072 2.299 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.396 0.366 0.967 1.00 0.00 C ATOM 820 CD2 LEU A 52 88.954 2.577 2.060 1.00 0.00 C ATOM 0 H LEU A 52 85.601 1.910 3.504 1.00 0.00 H new ATOM 0 HA LEU A 52 86.942 0.977 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.696 0.947 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 52 87.955 -0.571 3.087 1.00 0.00 H new ATOM 0 HG LEU A 52 89.962 0.906 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.302 0.774 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.527 -0.702 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.555 0.523 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 52 89.861 2.976 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.109 2.748 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 52 88.773 3.078 3.011 1.00 0.00 H new ATOM 832 N ILE A 53 85.387 -0.939 0.864 1.00 0.00 N ATOM 833 CA ILE A 53 84.531 -2.117 0.738 1.00 0.00 C ATOM 834 C ILE A 53 85.327 -3.264 0.125 1.00 0.00 C ATOM 835 O ILE A 53 85.888 -3.123 -0.961 1.00 0.00 O ATOM 836 CB ILE A 53 83.311 -1.789 -0.142 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.135 -1.379 0.749 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.902 -3.012 -0.976 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.504 -0.134 1.556 1.00 0.00 C ATOM 0 H ILE A 53 85.702 -0.548 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 53 84.180 -2.414 1.726 1.00 0.00 H new ATOM 0 HB ILE A 53 83.577 -0.973 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.256 -1.179 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 53 81.875 -2.196 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.038 -2.760 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.731 -3.308 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.646 -3.837 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 53 81.663 0.153 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.371 -0.349 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 53 82.742 0.684 0.875 1.00 0.00 H new ATOM 851 N TRP A 54 85.385 -4.394 0.826 1.00 0.00 N ATOM 852 CA TRP A 54 86.128 -5.545 0.330 1.00 0.00 C ATOM 853 C TRP A 54 85.406 -6.848 0.667 1.00 0.00 C ATOM 854 O TRP A 54 84.890 -7.024 1.772 1.00 0.00 O ATOM 855 CB TRP A 54 87.531 -5.557 0.943 1.00 0.00 C ATOM 856 CG TRP A 54 88.252 -6.801 0.531 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.885 -6.977 -0.651 1.00 0.00 C ATOM 858 CD2 TRP A 54 88.424 -8.041 1.276 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.434 -8.247 -0.678 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.177 -8.941 0.487 1.00 0.00 C ATOM 861 CE3 TRP A 54 88.004 -8.467 2.550 1.00 0.00 C ATOM 862 CZ2 TRP A 54 89.502 -10.218 0.943 1.00 0.00 C ATOM 863 CZ3 TRP A 54 88.329 -9.753 3.011 1.00 0.00 C ATOM 864 CH2 TRP A 54 89.076 -10.626 2.210 1.00 0.00 C ATOM 0 H TRP A 54 84.931 -4.535 1.729 1.00 0.00 H new ATOM 0 HA TRP A 54 86.203 -5.465 -0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.088 -4.678 0.618 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.464 -5.507 2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.951 -6.246 -1.444 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.964 -8.624 -1.463 1.00 0.00 H new ATOM 0 HE3 TRP A 54 87.429 -7.801 3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 90.079 -10.887 0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 88.001 -10.071 3.990 1.00 0.00 H new ATOM 0 HH2 TRP A 54 89.323 -11.614 2.571 1.00 0.00 H new ATOM 875 N ALA A 55 85.390 -7.755 -0.305 1.00 0.00 N ATOM 876 CA ALA A 55 84.750 -9.061 -0.149 1.00 0.00 C ATOM 877 C ALA A 55 83.255 -8.929 0.153 1.00 0.00 C ATOM 878 O ALA A 55 82.760 -9.482 1.135 1.00 0.00 O ATOM 879 CB ALA A 55 85.438 -9.857 0.965 1.00 0.00 C ATOM 0 H ALA A 55 85.817 -7.609 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 55 84.854 -9.593 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 55 84.953 -10.827 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.488 -10.002 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.363 -9.308 1.904 1.00 0.00 H new ATOM 885 N GLY A 56 82.540 -8.216 -0.715 1.00 0.00 N ATOM 886 CA GLY A 56 81.096 -8.034 -0.563 1.00 0.00 C ATOM 887 C GLY A 56 80.711 -7.438 0.791 1.00 0.00 C ATOM 888 O GLY A 56 79.527 -7.376 1.123 1.00 0.00 O ATOM 0 H GLY A 56 82.937 -7.754 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.731 -7.383 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.599 -8.996 -0.685 1.00 0.00 H new ATOM 892 N LYS A 57 81.700 -7.012 1.574 1.00 0.00 N ATOM 893 CA LYS A 57 81.418 -6.439 2.888 1.00 0.00 C ATOM 894 C LYS A 57 82.200 -5.150 3.108 1.00 0.00 C ATOM 895 O LYS A 57 83.317 -4.993 2.611 1.00 0.00 O ATOM 896 CB LYS A 57 81.778 -7.449 3.982 1.00 0.00 C ATOM 897 CG LYS A 57 81.085 -7.058 5.294 1.00 0.00 C ATOM 898 CD LYS A 57 80.464 -8.300 5.943 1.00 0.00 C ATOM 899 CE LYS A 57 81.565 -9.293 6.329 1.00 0.00 C ATOM 900 NZ LYS A 57 81.452 -10.514 5.482 1.00 0.00 N ATOM 0 H LYS A 57 82.689 -7.051 1.327 1.00 0.00 H new ATOM 0 HA LYS A 57 80.354 -6.207 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.471 -8.451 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.858 -7.476 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.804 -6.602 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.313 -6.313 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.895 -8.013 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.764 -8.770 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.545 -8.835 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.477 -9.559 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.874 -11.323 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.449 -10.711 5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.954 -10.361 4.584 1.00 0.00 H new ATOM 914 N GLN A 58 81.603 -4.234 3.867 1.00 0.00 N ATOM 915 CA GLN A 58 82.246 -2.960 4.167 1.00 0.00 C ATOM 916 C GLN A 58 83.324 -3.161 5.225 1.00 0.00 C ATOM 917 O GLN A 58 83.045 -3.655 6.319 1.00 0.00 O ATOM 918 CB GLN A 58 81.208 -1.954 4.673 1.00 0.00 C ATOM 919 CG GLN A 58 80.198 -1.649 3.562 1.00 0.00 C ATOM 920 CD GLN A 58 78.788 -1.587 4.139 1.00 0.00 C ATOM 921 OE1 GLN A 58 78.278 -0.502 4.419 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.125 -2.693 4.335 1.00 0.00 N ATOM 0 H GLN A 58 80.679 -4.351 4.283 1.00 0.00 H new ATOM 0 HA GLN A 58 82.703 -2.572 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.693 -2.356 5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.702 -1.036 4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.446 -0.701 3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.250 -2.418 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.550 -3.590 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.181 -2.660 4.721 1.00 0.00 H new ATOM 931 N LEU A 59 84.555 -2.784 4.894 1.00 0.00 N ATOM 932 CA LEU A 59 85.669 -2.939 5.827 1.00 0.00 C ATOM 933 C LEU A 59 85.526 -1.985 7.010 1.00 0.00 C ATOM 934 O LEU A 59 85.321 -0.784 6.829 1.00 0.00 O ATOM 935 CB LEU A 59 86.998 -2.662 5.116 1.00 0.00 C ATOM 936 CG LEU A 59 87.233 -3.711 4.024 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.461 -3.317 3.194 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.470 -5.082 4.669 1.00 0.00 C ATOM 0 H LEU A 59 84.807 -2.372 3.995 1.00 0.00 H new ATOM 0 HA LEU A 59 85.656 -3.965 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.985 -1.664 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.817 -2.683 5.835 1.00 0.00 H new ATOM 0 HG LEU A 59 86.357 -3.763 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.629 -4.062 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.292 -2.344 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.336 -3.264 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 59 87.637 -5.826 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.345 -5.033 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.597 -5.363 5.258 1.00 0.00 H new ATOM 950 N GLU A 60 85.646 -2.530 8.218 1.00 0.00 N ATOM 951 CA GLU A 60 85.537 -1.720 9.429 1.00 0.00 C ATOM 952 C GLU A 60 86.838 -0.954 9.667 1.00 0.00 C ATOM 953 O GLU A 60 87.923 -1.533 9.641 1.00 0.00 O ATOM 954 CB GLU A 60 85.224 -2.610 10.638 1.00 0.00 C ATOM 955 CG GLU A 60 86.318 -3.670 10.811 1.00 0.00 C ATOM 956 CD GLU A 60 85.802 -4.815 11.676 1.00 0.00 C ATOM 957 OE1 GLU A 60 85.203 -5.724 11.125 1.00 0.00 O ATOM 958 OE2 GLU A 60 86.012 -4.767 12.877 1.00 0.00 O ATOM 0 H GLU A 60 85.817 -3.522 8.384 1.00 0.00 H new ATOM 0 HA GLU A 60 84.724 -1.006 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.152 -2.001 11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.257 -3.094 10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 60 86.626 -4.049 9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.199 -3.223 11.272 1.00 0.00 H new ATOM 965 N ASP A 61 86.716 0.354 9.873 1.00 0.00 N ATOM 966 CA ASP A 61 87.884 1.206 10.092 1.00 0.00 C ATOM 967 C ASP A 61 88.762 0.682 11.231 1.00 0.00 C ATOM 968 O ASP A 61 89.939 1.036 11.326 1.00 0.00 O ATOM 969 CB ASP A 61 87.435 2.635 10.409 1.00 0.00 C ATOM 970 CG ASP A 61 88.280 3.631 9.622 1.00 0.00 C ATOM 971 OD1 ASP A 61 89.387 3.908 10.052 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.810 4.098 8.598 1.00 0.00 O ATOM 0 H ASP A 61 85.824 0.847 9.893 1.00 0.00 H new ATOM 0 HA ASP A 61 88.476 1.196 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.382 2.759 10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.532 2.827 11.478 1.00 0.00 H new ATOM 977 N GLY A 62 88.186 -0.152 12.095 1.00 0.00 N ATOM 978 CA GLY A 62 88.931 -0.705 13.224 1.00 0.00 C ATOM 979 C GLY A 62 89.780 -1.906 12.808 1.00 0.00 C ATOM 980 O GLY A 62 90.525 -2.456 13.621 1.00 0.00 O ATOM 0 H GLY A 62 87.215 -0.457 12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.574 0.066 13.648 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.235 -1.005 14.007 1.00 0.00 H new ATOM 984 N ARG A 63 89.661 -2.311 11.546 1.00 0.00 N ATOM 985 CA ARG A 63 90.420 -3.454 11.043 1.00 0.00 C ATOM 986 C ARG A 63 91.868 -3.067 10.756 1.00 0.00 C ATOM 987 O ARG A 63 92.188 -1.889 10.589 1.00 0.00 O ATOM 988 CB ARG A 63 89.772 -3.992 9.762 1.00 0.00 C ATOM 989 CG ARG A 63 90.148 -5.465 9.572 1.00 0.00 C ATOM 990 CD ARG A 63 89.309 -6.068 8.441 1.00 0.00 C ATOM 991 NE ARG A 63 90.002 -7.211 7.854 1.00 0.00 N ATOM 992 CZ ARG A 63 89.811 -7.556 6.585 1.00 0.00 C ATOM 993 NH1 ARG A 63 90.258 -6.790 5.627 1.00 0.00 N ATOM 994 NH2 ARG A 63 89.181 -8.660 6.294 1.00 0.00 N ATOM 0 H ARG A 63 89.052 -1.869 10.858 1.00 0.00 H new ATOM 0 HA ARG A 63 90.412 -4.228 11.811 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.689 -3.888 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.103 -3.409 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 63 91.209 -5.553 9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 63 89.979 -6.016 10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.338 -6.380 8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 63 89.122 -5.315 7.676 1.00 0.00 H new ATOM 0 HE ARG A 63 90.645 -7.755 8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 63 90.753 -5.927 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 63 90.112 -7.054 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 63 88.833 -9.261 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 63 89.036 -8.922 5.319 1.00 0.00 H new ATOM 1008 N THR A 64 92.736 -4.075 10.699 1.00 0.00 N ATOM 1009 CA THR A 64 94.153 -3.849 10.428 1.00 0.00 C ATOM 1010 C THR A 64 94.563 -4.535 9.130 1.00 0.00 C ATOM 1011 O THR A 64 93.817 -5.345 8.580 1.00 0.00 O ATOM 1012 CB THR A 64 95.004 -4.388 11.582 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.508 -5.658 11.982 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.945 -3.420 12.766 1.00 0.00 C ATOM 0 H THR A 64 92.483 -5.054 10.837 1.00 0.00 H new ATOM 0 HA THR A 64 94.317 -2.776 10.330 1.00 0.00 H new ATOM 0 HB THR A 64 96.038 -4.487 11.251 1.00 0.00 H new ATOM 0 HG1 THR A 64 95.053 -6.005 12.719 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.552 -3.808 13.584 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.329 -2.447 12.460 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.912 -3.315 13.099 1.00 0.00 H new ATOM 1022 N LEU A 65 95.755 -4.201 8.647 1.00 0.00 N ATOM 1023 CA LEU A 65 96.268 -4.782 7.412 1.00 0.00 C ATOM 1024 C LEU A 65 96.744 -6.213 7.657 1.00 0.00 C ATOM 1025 O LEU A 65 96.589 -7.087 6.803 1.00 0.00 O ATOM 1026 CB LEU A 65 97.424 -3.914 6.880 1.00 0.00 C ATOM 1027 CG LEU A 65 96.873 -2.766 6.012 1.00 0.00 C ATOM 1028 CD1 LEU A 65 98.007 -2.142 5.195 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.798 -3.287 5.048 1.00 0.00 C ATOM 0 H LEU A 65 96.383 -3.532 9.092 1.00 0.00 H new ATOM 0 HA LEU A 65 95.471 -4.810 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.996 -3.507 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 65 98.108 -4.527 6.293 1.00 0.00 H new ATOM 0 HG LEU A 65 96.433 -2.019 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.611 -1.331 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.768 -1.750 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.450 -2.900 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.421 -2.462 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.231 -4.046 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.978 -3.723 5.619 1.00 0.00 H new ATOM 1041 N SER A 66 97.327 -6.437 8.830 1.00 0.00 N ATOM 1042 CA SER A 66 97.832 -7.757 9.195 1.00 0.00 C ATOM 1043 C SER A 66 96.695 -8.683 9.621 1.00 0.00 C ATOM 1044 O SER A 66 96.894 -9.889 9.770 1.00 0.00 O ATOM 1045 CB SER A 66 98.840 -7.633 10.337 1.00 0.00 C ATOM 1046 OG SER A 66 98.219 -6.996 11.445 1.00 0.00 O ATOM 0 H SER A 66 97.462 -5.722 9.545 1.00 0.00 H new ATOM 0 HA SER A 66 98.319 -8.185 8.319 1.00 0.00 H new ATOM 0 HB2 SER A 66 99.202 -8.620 10.626 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.707 -7.058 10.011 1.00 0.00 H new ATOM 0 HG SER A 66 98.804 -7.059 12.229 1.00 0.00 H new ATOM 1052 N ASP A 67 95.504 -8.115 9.806 1.00 0.00 N ATOM 1053 CA ASP A 67 94.349 -8.914 10.206 1.00 0.00 C ATOM 1054 C ASP A 67 94.136 -10.048 9.209 1.00 0.00 C ATOM 1055 O ASP A 67 94.215 -11.225 9.563 1.00 0.00 O ATOM 1056 CB ASP A 67 93.094 -8.037 10.268 1.00 0.00 C ATOM 1057 CG ASP A 67 91.852 -8.907 10.451 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.551 -9.245 11.583 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.222 -9.224 9.454 1.00 0.00 O ATOM 0 H ASP A 67 95.316 -7.120 9.687 1.00 0.00 H new ATOM 0 HA ASP A 67 94.536 -9.333 11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 67 93.176 -7.329 11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 67 93.005 -7.451 9.353 1.00 0.00 H new ATOM 1064 N TYR A 68 93.873 -9.677 7.961 1.00 0.00 N ATOM 1065 CA TYR A 68 93.657 -10.660 6.907 1.00 0.00 C ATOM 1066 C TYR A 68 94.984 -11.040 6.253 1.00 0.00 C ATOM 1067 O TYR A 68 95.010 -11.817 5.299 1.00 0.00 O ATOM 1068 CB TYR A 68 92.700 -10.095 5.851 1.00 0.00 C ATOM 1069 CG TYR A 68 91.772 -11.190 5.379 1.00 0.00 C ATOM 1070 CD1 TYR A 68 90.593 -11.461 6.086 1.00 0.00 C ATOM 1071 CD2 TYR A 68 92.092 -11.938 4.239 1.00 0.00 C ATOM 1072 CE1 TYR A 68 89.735 -12.478 5.653 1.00 0.00 C ATOM 1073 CE2 TYR A 68 91.235 -12.957 3.807 1.00 0.00 C ATOM 1074 CZ TYR A 68 90.056 -13.227 4.514 1.00 0.00 C ATOM 1075 OH TYR A 68 89.212 -14.232 4.088 1.00 0.00 O ATOM 0 H TYR A 68 93.804 -8.706 7.656 1.00 0.00 H new ATOM 0 HA TYR A 68 93.215 -11.553 7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 68 92.124 -9.270 6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 68 93.265 -9.694 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.346 -10.885 6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 68 93.000 -11.729 3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.825 -12.685 6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 68 91.483 -13.535 2.929 1.00 0.00 H new ATOM 0 HH TYR A 68 89.583 -14.651 3.283 1.00 0.00 H new ATOM 1085 N ASN A 69 96.078 -10.476 6.771 1.00 0.00 N ATOM 1086 CA ASN A 69 97.419 -10.740 6.242 1.00 0.00 C ATOM 1087 C ASN A 69 97.647 -9.950 4.951 1.00 0.00 C ATOM 1088 O ASN A 69 98.614 -10.183 4.224 1.00 0.00 O ATOM 1089 CB ASN A 69 97.626 -12.256 6.026 1.00 0.00 C ATOM 1090 CG ASN A 69 97.810 -12.598 4.546 1.00 0.00 C ATOM 1091 OD1 ASN A 69 96.845 -12.611 3.783 1.00 0.00 O ATOM 1092 ND2 ASN A 69 99.002 -12.880 4.097 1.00 0.00 N ATOM 0 H ASN A 69 96.061 -9.830 7.560 1.00 0.00 H new ATOM 0 HA ASN A 69 98.159 -10.407 6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 69 98.500 -12.587 6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 69 96.768 -12.800 6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.135 -13.112 3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.801 -12.869 4.730 1.00 0.00 H new ATOM 1099 N ILE A 70 96.750 -8.997 4.693 1.00 0.00 N ATOM 1100 CA ILE A 70 96.847 -8.151 3.502 1.00 0.00 C ATOM 1101 C ILE A 70 98.293 -7.711 3.277 1.00 0.00 C ATOM 1102 O ILE A 70 98.842 -6.927 4.053 1.00 0.00 O ATOM 1103 CB ILE A 70 95.950 -6.916 3.663 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.507 -7.360 3.943 1.00 0.00 C ATOM 1105 CG2 ILE A 70 95.984 -6.083 2.377 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.809 -6.320 4.823 1.00 0.00 C ATOM 0 H ILE A 70 95.950 -8.792 5.291 1.00 0.00 H new ATOM 0 HA ILE A 70 96.516 -8.728 2.638 1.00 0.00 H new ATOM 0 HB ILE A 70 96.314 -6.314 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.965 -7.480 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.505 -8.331 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.346 -5.207 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.007 -5.763 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 70 95.623 -6.686 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.785 -6.638 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.346 -6.222 5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.798 -5.358 4.310 1.00 0.00 H new ATOM 1118 N GLN A 71 98.905 -8.229 2.214 1.00 0.00 N ATOM 1119 CA GLN A 71 100.290 -7.893 1.893 1.00 0.00 C ATOM 1120 C GLN A 71 100.363 -6.552 1.164 1.00 0.00 C ATOM 1121 O GLN A 71 99.574 -5.647 1.437 1.00 0.00 O ATOM 1122 CB GLN A 71 100.905 -8.995 1.021 1.00 0.00 C ATOM 1123 CG GLN A 71 100.678 -10.362 1.674 1.00 0.00 C ATOM 1124 CD GLN A 71 101.364 -11.452 0.857 1.00 0.00 C ATOM 1125 OE1 GLN A 71 100.914 -11.783 -0.241 1.00 0.00 O ATOM 1126 NE2 GLN A 71 102.433 -12.034 1.329 1.00 0.00 N ATOM 0 H GLN A 71 98.466 -8.880 1.563 1.00 0.00 H new ATOM 0 HA GLN A 71 100.853 -7.813 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 71 100.457 -8.978 0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.973 -8.816 0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.070 -10.358 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 71 99.610 -10.567 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 71 102.804 -11.759 2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 71 102.897 -12.764 0.788 1.00 0.00 H new ATOM 1135 N ARG A 72 101.309 -6.438 0.233 1.00 0.00 N ATOM 1136 CA ARG A 72 101.474 -5.210 -0.539 1.00 0.00 C ATOM 1137 C ARG A 72 100.810 -5.354 -1.905 1.00 0.00 C ATOM 1138 O ARG A 72 100.168 -4.425 -2.396 1.00 0.00 O ATOM 1139 CB ARG A 72 102.964 -4.886 -0.712 1.00 0.00 C ATOM 1140 CG ARG A 72 103.711 -6.113 -1.249 1.00 0.00 C ATOM 1141 CD ARG A 72 105.209 -5.805 -1.335 1.00 0.00 C ATOM 1142 NE ARG A 72 105.974 -7.046 -1.431 1.00 0.00 N ATOM 1143 CZ ARG A 72 106.892 -7.219 -2.377 1.00 0.00 C ATOM 1144 NH1 ARG A 72 108.128 -6.856 -2.163 1.00 0.00 N ATOM 1145 NH2 ARG A 72 106.559 -7.757 -3.518 1.00 0.00 N ATOM 0 H ARG A 72 101.970 -7.178 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 72 100.997 -4.393 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.085 -4.048 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.391 -4.580 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.542 -6.969 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.328 -6.383 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.409 -5.177 -2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.523 -5.242 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 72 105.800 -7.794 -0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 72 108.390 -6.439 -1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 72 108.832 -6.989 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.595 -8.045 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.263 -7.890 -4.244 1.00 0.00 H new ATOM 1159 N GLU A 73 100.969 -6.529 -2.511 1.00 0.00 N ATOM 1160 CA GLU A 73 100.381 -6.796 -3.821 1.00 0.00 C ATOM 1161 C GLU A 73 98.887 -7.090 -3.685 1.00 0.00 C ATOM 1162 O GLU A 73 98.369 -8.036 -4.283 1.00 0.00 O ATOM 1163 CB GLU A 73 101.091 -7.988 -4.477 1.00 0.00 C ATOM 1164 CG GLU A 73 101.123 -9.176 -3.506 1.00 0.00 C ATOM 1165 CD GLU A 73 100.913 -10.482 -4.267 1.00 0.00 C ATOM 1166 OE1 GLU A 73 99.786 -10.744 -4.656 1.00 0.00 O ATOM 1167 OE2 GLU A 73 101.882 -11.201 -4.449 1.00 0.00 O ATOM 0 H GLU A 73 101.498 -7.308 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 73 100.507 -5.913 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.574 -8.271 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.107 -7.708 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.078 -9.201 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 73 100.347 -9.058 -2.749 1.00 0.00 H new ATOM 1174 N SER A 74 98.203 -6.270 -2.887 1.00 0.00 N ATOM 1175 CA SER A 74 96.770 -6.438 -2.664 1.00 0.00 C ATOM 1176 C SER A 74 95.991 -5.267 -3.258 1.00 0.00 C ATOM 1177 O SER A 74 96.447 -4.120 -3.216 1.00 0.00 O ATOM 1178 CB SER A 74 96.487 -6.531 -1.163 1.00 0.00 C ATOM 1179 OG SER A 74 97.454 -7.376 -0.552 1.00 0.00 O ATOM 0 H SER A 74 98.619 -5.485 -2.386 1.00 0.00 H new ATOM 0 HA SER A 74 96.450 -7.357 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.519 -5.539 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 74 95.485 -6.925 -0.994 1.00 0.00 H new ATOM 0 HG SER A 74 97.113 -7.693 0.310 1.00 0.00 H new ATOM 1185 N THR A 75 94.811 -5.567 -3.802 1.00 0.00 N ATOM 1186 CA THR A 75 93.960 -4.542 -4.400 1.00 0.00 C ATOM 1187 C THR A 75 92.873 -4.116 -3.416 1.00 0.00 C ATOM 1188 O THR A 75 91.879 -4.821 -3.226 1.00 0.00 O ATOM 1189 CB THR A 75 93.317 -5.077 -5.683 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.335 -5.522 -6.570 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.504 -3.967 -6.355 1.00 0.00 C ATOM 0 H THR A 75 94.425 -6.510 -3.840 1.00 0.00 H new ATOM 0 HA THR A 75 94.576 -3.676 -4.643 1.00 0.00 H new ATOM 0 HB THR A 75 92.656 -5.908 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.926 -5.866 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.048 -4.351 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.723 -3.625 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.161 -3.133 -6.601 1.00 0.00 H new ATOM 1199 N LEU A 76 93.079 -2.964 -2.790 1.00 0.00 N ATOM 1200 CA LEU A 76 92.129 -2.438 -1.817 1.00 0.00 C ATOM 1201 C LEU A 76 90.971 -1.728 -2.512 1.00 0.00 C ATOM 1202 O LEU A 76 91.102 -0.579 -2.938 1.00 0.00 O ATOM 1203 CB LEU A 76 92.847 -1.461 -0.880 1.00 0.00 C ATOM 1204 CG LEU A 76 93.188 -2.166 0.437 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.389 -3.096 0.227 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.530 -1.122 1.504 1.00 0.00 C ATOM 0 H LEU A 76 93.898 -2.374 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 76 91.724 -3.271 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.757 -1.091 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.214 -0.595 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 76 92.330 -2.752 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.630 -3.596 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 76 94.144 -3.841 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.248 -2.512 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.772 -1.625 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.387 -0.533 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.675 -0.464 1.656 1.00 0.00 H new ATOM 1218 N HIS A 77 89.837 -2.415 -2.614 1.00 0.00 N ATOM 1219 CA HIS A 77 88.659 -1.836 -3.249 1.00 0.00 C ATOM 1220 C HIS A 77 88.123 -0.684 -2.402 1.00 0.00 C ATOM 1221 O HIS A 77 87.577 -0.898 -1.317 1.00 0.00 O ATOM 1222 CB HIS A 77 87.576 -2.906 -3.422 1.00 0.00 C ATOM 1223 CG HIS A 77 87.930 -3.796 -4.582 1.00 0.00 C ATOM 1224 ND1 HIS A 77 89.120 -4.506 -4.634 1.00 0.00 N ATOM 1225 CD2 HIS A 77 87.262 -4.100 -5.742 1.00 0.00 C ATOM 1226 CE1 HIS A 77 89.131 -5.196 -5.788 1.00 0.00 C ATOM 1227 NE2 HIS A 77 88.021 -4.985 -6.501 1.00 0.00 N ATOM 0 H HIS A 77 89.710 -3.366 -2.268 1.00 0.00 H new ATOM 0 HA HIS A 77 88.939 -1.454 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.485 -3.497 -2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.608 -2.435 -3.594 1.00 0.00 H new ATOM 0 HD1 HIS A 77 89.854 -4.505 -3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 77 86.294 -3.711 -6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 77 89.938 -5.842 -6.100 1.00 0.00 H new ATOM 1235 N LEU A 78 88.288 0.536 -2.907 1.00 0.00 N ATOM 1236 CA LEU A 78 87.829 1.728 -2.202 1.00 0.00 C ATOM 1237 C LEU A 78 86.647 2.354 -2.936 1.00 0.00 C ATOM 1238 O LEU A 78 86.587 2.331 -4.165 1.00 0.00 O ATOM 1239 CB LEU A 78 88.980 2.743 -2.123 1.00 0.00 C ATOM 1240 CG LEU A 78 88.491 4.060 -1.507 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.634 4.712 -0.721 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.032 5.011 -2.620 1.00 0.00 C ATOM 0 H LEU A 78 88.737 0.724 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 78 87.511 1.449 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.793 2.334 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.380 2.927 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 78 87.656 3.856 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.287 5.648 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 78 89.960 4.039 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.469 4.913 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.685 5.946 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 78 88.866 5.214 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.219 4.550 -3.180 1.00 0.00 H new ATOM 1254 N VAL A 79 85.712 2.914 -2.175 1.00 0.00 N ATOM 1255 CA VAL A 79 84.537 3.550 -2.763 1.00 0.00 C ATOM 1256 C VAL A 79 84.374 4.963 -2.209 1.00 0.00 C ATOM 1257 O VAL A 79 84.234 5.157 -1.000 1.00 0.00 O ATOM 1258 CB VAL A 79 83.279 2.722 -2.476 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.058 1.712 -3.605 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.443 1.969 -1.154 1.00 0.00 C ATOM 0 H VAL A 79 85.744 2.941 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 79 84.676 3.607 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 79 82.422 3.392 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.163 1.125 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.934 2.243 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 79 83.920 1.048 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.546 1.383 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 79 84.304 1.304 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.596 2.683 -0.345 1.00 0.00 H new ATOM 1270 N LEU A 80 84.411 5.947 -3.106 1.00 0.00 N ATOM 1271 CA LEU A 80 84.283 7.349 -2.714 1.00 0.00 C ATOM 1272 C LEU A 80 82.839 7.699 -2.364 1.00 0.00 C ATOM 1273 O LEU A 80 81.914 7.393 -3.118 1.00 0.00 O ATOM 1274 CB LEU A 80 84.758 8.247 -3.859 1.00 0.00 C ATOM 1275 CG LEU A 80 86.291 8.250 -3.911 1.00 0.00 C ATOM 1276 CD1 LEU A 80 86.761 8.355 -5.364 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.823 9.446 -3.118 1.00 0.00 C ATOM 0 H LEU A 80 84.528 5.799 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 80 84.899 7.510 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.353 7.890 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.387 9.262 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 80 86.668 7.324 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.851 8.357 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.383 7.504 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.384 9.279 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.912 9.450 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.442 10.370 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.494 9.371 -2.082 1.00 0.00 H new ATOM 1289 N ARG A 81 82.658 8.359 -1.220 1.00 0.00 N ATOM 1290 CA ARG A 81 81.326 8.763 -0.780 1.00 0.00 C ATOM 1291 C ARG A 81 80.962 10.117 -1.386 1.00 0.00 C ATOM 1292 O ARG A 81 81.780 10.738 -2.066 1.00 0.00 O ATOM 1293 CB ARG A 81 81.277 8.838 0.749 1.00 0.00 C ATOM 1294 CG ARG A 81 81.500 7.439 1.333 1.00 0.00 C ATOM 1295 CD ARG A 81 81.832 7.544 2.825 1.00 0.00 C ATOM 1296 NE ARG A 81 81.127 6.509 3.574 1.00 0.00 N ATOM 1297 CZ ARG A 81 79.804 6.533 3.705 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.237 7.452 4.436 1.00 0.00 N ATOM 1299 NH2 ARG A 81 79.072 5.638 3.099 1.00 0.00 N ATOM 0 H ARG A 81 83.412 8.623 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 81 80.603 8.021 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 81 82.041 9.523 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.314 9.231 1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 81 80.607 6.830 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 81 82.313 6.940 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 81 82.907 7.442 2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 81 81.551 8.529 3.199 1.00 0.00 H new ATOM 0 HE ARG A 81 81.659 5.753 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 81 79.808 8.153 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 81 78.222 7.470 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 81 79.515 4.920 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 81 78.057 5.656 3.199 1.00 0.00 H new ATOM 1313 N LEU A 82 79.728 10.562 -1.152 1.00 0.00 N ATOM 1314 CA LEU A 82 79.267 11.837 -1.700 1.00 0.00 C ATOM 1315 C LEU A 82 78.709 12.738 -0.600 1.00 0.00 C ATOM 1316 O LEU A 82 77.594 12.531 -0.120 1.00 0.00 O ATOM 1317 CB LEU A 82 78.189 11.577 -2.757 1.00 0.00 C ATOM 1318 CG LEU A 82 77.688 12.905 -3.340 1.00 0.00 C ATOM 1319 CD1 LEU A 82 77.962 12.943 -4.845 1.00 0.00 C ATOM 1320 CD2 LEU A 82 76.182 13.039 -3.091 1.00 0.00 C ATOM 0 H LEU A 82 79.036 10.064 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 82 80.116 12.346 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 82 78.593 10.951 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.358 11.030 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 82 78.211 13.730 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 82 77.605 13.887 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 82 79.034 12.852 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 82 77.443 12.117 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 82 75.827 13.983 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 75.659 12.212 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 82 75.987 13.018 -2.019 1.00 0.00 H new ATOM 1332 N ARG A 83 79.494 13.740 -0.214 1.00 0.00 N ATOM 1333 CA ARG A 83 79.079 14.679 0.824 1.00 0.00 C ATOM 1334 C ARG A 83 78.835 16.062 0.224 1.00 0.00 C ATOM 1335 O ARG A 83 79.018 17.082 0.891 1.00 0.00 O ATOM 1336 CB ARG A 83 80.157 14.764 1.909 1.00 0.00 C ATOM 1337 CG ARG A 83 80.255 13.420 2.635 1.00 0.00 C ATOM 1338 CD ARG A 83 81.396 13.463 3.655 1.00 0.00 C ATOM 1339 NE ARG A 83 81.855 12.112 3.959 1.00 0.00 N ATOM 1340 CZ ARG A 83 81.065 11.235 4.574 1.00 0.00 C ATOM 1341 NH1 ARG A 83 80.956 11.250 5.874 1.00 0.00 N ATOM 1342 NH2 ARG A 83 80.399 10.357 3.877 1.00 0.00 N ATOM 0 H ARG A 83 80.419 13.923 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 83 78.150 14.322 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 83 81.118 15.020 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 83 79.914 15.556 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 83 79.314 13.199 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 83 80.428 12.620 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 83 82.222 14.055 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 83 81.058 13.954 4.568 1.00 0.00 H new ATOM 0 HE ARG A 83 82.800 11.834 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 83 81.477 11.935 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 83 80.350 10.577 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 83 80.484 10.342 2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 83 79.794 9.685 4.348 1.00 0.00 H new ATOM 1356 N GLY A 84 78.418 16.085 -1.041 1.00 0.00 N ATOM 1357 CA GLY A 84 78.148 17.343 -1.731 1.00 0.00 C ATOM 1358 C GLY A 84 76.923 17.220 -2.633 1.00 0.00 C ATOM 1359 O GLY A 84 76.197 16.227 -2.576 1.00 0.00 O ATOM 0 H GLY A 84 78.261 15.250 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 84 77.988 18.136 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.015 17.629 -2.326 1.00 0.00 H new ATOM 1363 N GLY A 85 76.702 18.237 -3.466 1.00 0.00 N ATOM 1364 CA GLY A 85 75.561 18.237 -4.381 1.00 0.00 C ATOM 1365 C GLY A 85 75.847 17.390 -5.618 1.00 0.00 C ATOM 1366 O GLY A 85 76.735 16.537 -5.605 1.00 0.00 O ATOM 0 H GLY A 85 77.293 19.066 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 85 74.680 17.851 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 85 75.332 19.259 -4.682 1.00 0.00 H new ATOM 1370 N SER A 86 75.082 17.634 -6.683 1.00 0.00 N ATOM 1371 CA SER A 86 75.249 16.892 -7.933 1.00 0.00 C ATOM 1372 C SER A 86 75.285 15.388 -7.660 1.00 0.00 C ATOM 1373 O SER A 86 76.145 14.670 -8.174 1.00 0.00 O ATOM 1374 CB SER A 86 76.537 17.331 -8.636 1.00 0.00 C ATOM 1375 OG SER A 86 76.520 16.872 -9.982 1.00 0.00 O ATOM 0 H SER A 86 74.343 18.337 -6.705 1.00 0.00 H new ATOM 0 HA SER A 86 74.400 17.107 -8.582 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.626 18.417 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.405 16.928 -8.114 1.00 0.00 H new ATOM 0 HG SER A 86 76.417 15.898 -9.994 1.00 0.00 H new ATOM 1381 N MET A 87 74.344 14.924 -6.843 1.00 0.00 N ATOM 1382 CA MET A 87 74.268 13.507 -6.492 1.00 0.00 C ATOM 1383 C MET A 87 73.949 12.656 -7.720 1.00 0.00 C ATOM 1384 O MET A 87 74.098 11.434 -7.693 1.00 0.00 O ATOM 1385 CB MET A 87 73.193 13.288 -5.423 1.00 0.00 C ATOM 1386 CG MET A 87 73.306 14.368 -4.342 1.00 0.00 C ATOM 1387 SD MET A 87 71.999 15.599 -4.579 1.00 0.00 S ATOM 1388 CE MET A 87 71.167 15.361 -2.989 1.00 0.00 C ATOM 0 H MET A 87 73.625 15.505 -6.412 1.00 0.00 H new ATOM 0 HA MET A 87 75.239 13.202 -6.101 1.00 0.00 H new ATOM 0 HB2 MET A 87 72.203 13.319 -5.878 1.00 0.00 H new ATOM 0 HB3 MET A 87 73.308 12.300 -4.976 1.00 0.00 H new ATOM 0 HG2 MET A 87 73.221 13.918 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 87 74.284 14.846 -4.392 1.00 0.00 H new ATOM 0 HE1 MET A 87 70.313 16.035 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 87 70.823 14.330 -2.909 1.00 0.00 H new ATOM 0 HE3 MET A 87 71.863 15.575 -2.178 1.00 0.00 H new ATOM 1398 N GLY A 88 73.510 13.308 -8.796 1.00 0.00 N ATOM 1399 CA GLY A 88 73.177 12.597 -10.027 1.00 0.00 C ATOM 1400 C GLY A 88 74.384 11.826 -10.550 1.00 0.00 C ATOM 1401 O GLY A 88 75.256 12.394 -11.209 1.00 0.00 O ATOM 0 H GLY A 88 73.378 14.318 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 88 72.352 11.909 -9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 88 72.838 13.307 -10.782 1.00 0.00 H new ATOM 1405 N GLY A 89 74.433 10.530 -10.248 1.00 0.00 N ATOM 1406 CA GLY A 89 75.544 9.693 -10.690 1.00 0.00 C ATOM 1407 C GLY A 89 75.366 8.248 -10.238 1.00 0.00 C ATOM 1408 O GLY A 89 74.581 7.958 -9.333 1.00 0.00 O ATOM 0 H GLY A 89 73.722 10.041 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 89 75.619 9.729 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 89 76.479 10.088 -10.293 1.00 0.00 H new ATOM 1412 N ALA A 90 76.107 7.346 -10.879 1.00 0.00 N ATOM 1413 CA ALA A 90 76.039 5.924 -10.551 1.00 0.00 C ATOM 1414 C ALA A 90 76.519 5.671 -9.125 1.00 0.00 C ATOM 1415 O ALA A 90 76.096 4.708 -8.483 1.00 0.00 O ATOM 1416 CB ALA A 90 76.904 5.125 -11.528 1.00 0.00 C ATOM 0 H ALA A 90 76.761 7.575 -11.628 1.00 0.00 H new ATOM 0 HA ALA A 90 75.000 5.604 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 90 76.850 4.065 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 90 76.541 5.278 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 90 77.938 5.462 -11.458 1.00 0.00 H new ATOM 1422 N ALA A 91 77.405 6.539 -8.640 1.00 0.00 N ATOM 1423 CA ALA A 91 77.943 6.404 -7.287 1.00 0.00 C ATOM 1424 C ALA A 91 77.668 7.667 -6.478 1.00 0.00 C ATOM 1425 O ALA A 91 77.613 8.768 -7.031 1.00 0.00 O ATOM 1426 CB ALA A 91 79.453 6.156 -7.346 1.00 0.00 C ATOM 0 H ALA A 91 77.764 7.339 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 91 77.455 5.558 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.845 6.057 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 91 79.650 5.240 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 91 79.940 6.995 -7.843 1.00 0.00 H new ATOM 1432 N ASP A 92 77.504 7.503 -5.168 1.00 0.00 N ATOM 1433 CA ASP A 92 77.244 8.642 -4.294 1.00 0.00 C ATOM 1434 C ASP A 92 77.851 8.409 -2.910 1.00 0.00 C ATOM 1435 O ASP A 92 79.072 8.397 -2.766 1.00 0.00 O ATOM 1436 CB ASP A 92 75.736 8.889 -4.184 1.00 0.00 C ATOM 1437 CG ASP A 92 75.256 9.685 -5.394 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.463 10.886 -5.402 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.694 9.083 -6.292 1.00 0.00 O ATOM 0 H ASP A 92 77.546 6.602 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 92 77.713 9.526 -4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 92 75.205 7.939 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 92 75.513 9.433 -3.266 1.00 0.00 H new ATOM 1444 N GLU A 93 76.999 8.237 -1.897 1.00 0.00 N ATOM 1445 CA GLU A 93 77.478 8.022 -0.533 1.00 0.00 C ATOM 1446 C GLU A 93 77.099 6.635 -0.024 1.00 0.00 C ATOM 1447 O GLU A 93 77.891 5.987 0.658 1.00 0.00 O ATOM 1448 CB GLU A 93 76.895 9.088 0.398 1.00 0.00 C ATOM 1449 CG GLU A 93 77.442 8.890 1.818 1.00 0.00 C ATOM 1450 CD GLU A 93 77.851 10.233 2.418 1.00 0.00 C ATOM 1451 OE1 GLU A 93 78.661 10.910 1.808 1.00 0.00 O ATOM 1452 OE2 GLU A 93 77.351 10.562 3.480 1.00 0.00 O ATOM 0 H GLU A 93 75.984 8.242 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 93 78.565 8.097 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.153 10.083 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.807 9.023 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 93 76.685 8.419 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 93 78.300 8.218 1.795 1.00 0.00 H new ATOM 1459 N GLU A 94 75.881 6.193 -0.335 1.00 0.00 N ATOM 1460 CA GLU A 94 75.406 4.883 0.115 1.00 0.00 C ATOM 1461 C GLU A 94 75.381 3.884 -1.044 1.00 0.00 C ATOM 1462 O GLU A 94 75.835 2.748 -0.904 1.00 0.00 O ATOM 1463 CB GLU A 94 73.999 5.012 0.709 1.00 0.00 C ATOM 1464 CG GLU A 94 73.169 5.998 -0.122 1.00 0.00 C ATOM 1465 CD GLU A 94 71.729 6.032 0.384 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.486 6.701 1.375 1.00 0.00 O ATOM 1467 OE2 GLU A 94 70.891 5.388 -0.228 1.00 0.00 O ATOM 0 H GLU A 94 75.208 6.718 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 94 76.093 4.516 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.511 4.037 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 94 74.061 5.356 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 94 73.607 6.994 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 94 73.187 5.705 -1.172 1.00 0.00 H new ATOM 1474 N GLU A 95 74.841 4.317 -2.181 1.00 0.00 N ATOM 1475 CA GLU A 95 74.746 3.461 -3.365 1.00 0.00 C ATOM 1476 C GLU A 95 76.129 3.028 -3.848 1.00 0.00 C ATOM 1477 O GLU A 95 76.250 2.149 -4.701 1.00 0.00 O ATOM 1478 CB GLU A 95 74.009 4.190 -4.491 1.00 0.00 C ATOM 1479 CG GLU A 95 74.583 5.599 -4.661 1.00 0.00 C ATOM 1480 CD GLU A 95 73.938 6.285 -5.861 1.00 0.00 C ATOM 1481 OE1 GLU A 95 72.822 6.757 -5.720 1.00 0.00 O ATOM 1482 OE2 GLU A 95 74.569 6.331 -6.904 1.00 0.00 O ATOM 0 H GLU A 95 74.462 5.255 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 95 74.185 2.569 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.107 3.633 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.944 4.246 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 95 74.405 6.184 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.663 5.546 -4.799 1.00 0.00 H new ATOM 1489 N LEU A 96 77.171 3.640 -3.296 1.00 0.00 N ATOM 1490 CA LEU A 96 78.535 3.291 -3.676 1.00 0.00 C ATOM 1491 C LEU A 96 78.884 1.897 -3.150 1.00 0.00 C ATOM 1492 O LEU A 96 79.898 1.312 -3.531 1.00 0.00 O ATOM 1493 CB LEU A 96 79.516 4.340 -3.124 1.00 0.00 C ATOM 1494 CG LEU A 96 79.980 3.958 -1.711 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.971 5.007 -1.200 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.775 3.905 -0.768 1.00 0.00 C ATOM 0 H LEU A 96 77.099 4.373 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 96 78.614 3.280 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.378 4.422 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 96 79.036 5.318 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 96 80.460 2.980 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 96 81.301 4.737 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.832 5.049 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.486 5.983 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.108 3.634 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 96 78.293 4.882 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 96 78.064 3.161 -1.128 1.00 0.00 H new ATOM 1508 N ILE A 97 78.027 1.383 -2.268 1.00 0.00 N ATOM 1509 CA ILE A 97 78.228 0.064 -1.674 1.00 0.00 C ATOM 1510 C ILE A 97 77.431 -1.001 -2.424 1.00 0.00 C ATOM 1511 O ILE A 97 77.980 -2.033 -2.814 1.00 0.00 O ATOM 1512 CB ILE A 97 77.801 0.083 -0.200 1.00 0.00 C ATOM 1513 CG1 ILE A 97 78.877 0.784 0.638 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.622 -1.351 0.313 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.215 1.566 1.775 1.00 0.00 C ATOM 0 H ILE A 97 77.185 1.863 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 97 79.287 -0.182 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 97 76.856 0.620 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.571 0.049 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.459 1.459 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.319 -1.328 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 97 76.855 -1.855 -0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.564 -1.891 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 97 78.982 2.063 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.539 2.312 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.653 0.880 2.409 1.00 0.00 H new ATOM 1527 N ARG A 98 76.132 -0.753 -2.605 1.00 0.00 N ATOM 1528 CA ARG A 98 75.266 -1.712 -3.289 1.00 0.00 C ATOM 1529 C ARG A 98 75.879 -2.163 -4.611 1.00 0.00 C ATOM 1530 O ARG A 98 75.856 -3.353 -4.933 1.00 0.00 O ATOM 1531 CB ARG A 98 73.877 -1.103 -3.532 1.00 0.00 C ATOM 1532 CG ARG A 98 73.974 0.054 -4.532 1.00 0.00 C ATOM 1533 CD ARG A 98 72.585 0.660 -4.761 1.00 0.00 C ATOM 1534 NE ARG A 98 71.961 1.009 -3.487 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.850 0.403 -3.072 1.00 0.00 C ATOM 1536 NH1 ARG A 98 69.729 0.576 -3.718 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.883 -0.364 -2.018 1.00 0.00 N ATOM 0 H ARG A 98 75.661 0.096 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 98 75.162 -2.586 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.199 -1.867 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 98 73.459 -0.746 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.656 0.816 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.385 -0.303 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.668 1.548 -5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 98 71.956 -0.050 -5.298 1.00 0.00 H new ATOM 0 HE ARG A 98 72.384 1.731 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 98 69.703 1.176 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 98 68.879 0.111 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 98 71.759 -0.499 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 98 70.033 -0.829 -1.699 1.00 0.00 H new ATOM 1551 N LYS A 99 76.432 -1.220 -5.372 1.00 0.00 N ATOM 1552 CA LYS A 99 77.044 -1.571 -6.645 1.00 0.00 C ATOM 1553 C LYS A 99 78.386 -2.251 -6.407 1.00 0.00 C ATOM 1554 O LYS A 99 78.516 -3.443 -6.642 1.00 0.00 O ATOM 1555 CB LYS A 99 77.213 -0.332 -7.538 1.00 0.00 C ATOM 1556 CG LYS A 99 78.076 0.728 -6.841 1.00 0.00 C ATOM 1557 CD LYS A 99 77.660 2.118 -7.317 1.00 0.00 C ATOM 1558 CE LYS A 99 78.068 2.311 -8.781 1.00 0.00 C ATOM 1559 NZ LYS A 99 78.767 3.617 -8.930 1.00 0.00 N ATOM 0 H LYS A 99 76.468 -0.229 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 99 76.384 -2.266 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 99 77.674 -0.619 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 99 76.235 0.087 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 99 77.960 0.653 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 99 79.130 0.557 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.582 2.241 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.130 2.881 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.721 1.498 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.187 2.282 -9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 78.925 3.813 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 78.183 4.372 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 79.682 3.579 -8.438 1.00 0.00 H new ATOM 1573 N ALA A 100 79.382 -1.485 -5.960 1.00 0.00 N ATOM 1574 CA ALA A 100 80.723 -2.014 -5.712 1.00 0.00 C ATOM 1575 C ALA A 100 80.702 -3.458 -5.201 1.00 0.00 C ATOM 1576 O ALA A 100 81.629 -4.223 -5.468 1.00 0.00 O ATOM 1577 CB ALA A 100 81.440 -1.128 -4.691 1.00 0.00 C ATOM 0 H ALA A 100 79.283 -0.489 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 100 81.252 -2.012 -6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.439 -1.522 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.516 -0.113 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.876 -1.117 -3.759 1.00 0.00 H new ATOM 1583 N ILE A 101 79.648 -3.825 -4.477 1.00 0.00 N ATOM 1584 CA ILE A 101 79.526 -5.184 -3.945 1.00 0.00 C ATOM 1585 C ILE A 101 79.014 -6.144 -5.024 1.00 0.00 C ATOM 1586 O ILE A 101 79.591 -7.206 -5.251 1.00 0.00 O ATOM 1587 CB ILE A 101 78.565 -5.196 -2.746 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.290 -4.648 -1.508 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.094 -6.632 -2.473 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.319 -4.579 -0.326 1.00 0.00 C ATOM 0 H ILE A 101 78.870 -3.207 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 101 80.513 -5.515 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 101 77.700 -4.572 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.136 -5.288 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 101 79.691 -3.657 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.413 -6.636 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.579 -7.019 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 101 78.956 -7.262 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.839 -4.190 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.487 -3.921 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.939 -5.577 -0.108 1.00 0.00 H new ATOM 1602 N GLU A 102 77.918 -5.758 -5.669 1.00 0.00 N ATOM 1603 CA GLU A 102 77.298 -6.568 -6.715 1.00 0.00 C ATOM 1604 C GLU A 102 77.966 -6.339 -8.068 1.00 0.00 C ATOM 1605 O GLU A 102 77.662 -7.021 -9.048 1.00 0.00 O ATOM 1606 CB GLU A 102 75.820 -6.191 -6.824 1.00 0.00 C ATOM 1607 CG GLU A 102 75.023 -7.378 -7.361 1.00 0.00 C ATOM 1608 CD GLU A 102 74.846 -8.431 -6.270 1.00 0.00 C ATOM 1609 OE1 GLU A 102 73.973 -8.254 -5.437 1.00 0.00 O ATOM 1610 OE2 GLU A 102 75.586 -9.402 -6.285 1.00 0.00 O ATOM 0 H GLU A 102 77.435 -4.879 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 102 77.413 -7.618 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 102 75.437 -5.896 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 102 75.702 -5.333 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.048 -7.041 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.538 -7.814 -8.217 1.00 0.00 H new ATOM 1617 N LEU A 103 78.825 -5.341 -8.128 1.00 0.00 N ATOM 1618 CA LEU A 103 79.480 -4.984 -9.374 1.00 0.00 C ATOM 1619 C LEU A 103 80.846 -5.661 -9.538 1.00 0.00 C ATOM 1620 O LEU A 103 80.997 -6.563 -10.363 1.00 0.00 O ATOM 1621 CB LEU A 103 79.626 -3.457 -9.409 1.00 0.00 C ATOM 1622 CG LEU A 103 80.535 -3.027 -10.557 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.111 -3.731 -11.851 1.00 0.00 C ATOM 1624 CD2 LEU A 103 80.424 -1.509 -10.741 1.00 0.00 C ATOM 0 H LEU A 103 79.087 -4.762 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 103 78.869 -5.336 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 103 78.645 -2.996 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 103 80.036 -3.104 -8.463 1.00 0.00 H new ATOM 0 HG LEU A 103 81.565 -3.299 -10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 103 80.764 -3.419 -12.666 1.00 0.00 H new ATOM 0 HD12 LEU A 103 80.185 -4.810 -11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 103 79.081 -3.465 -12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.071 -1.193 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 103 79.392 -1.245 -10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 103 80.730 -1.008 -9.823 1.00 0.00 H new ATOM 1636 N SER A 104 81.842 -5.201 -8.785 1.00 0.00 N ATOM 1637 CA SER A 104 83.196 -5.751 -8.899 1.00 0.00 C ATOM 1638 C SER A 104 83.511 -6.775 -7.812 1.00 0.00 C ATOM 1639 O SER A 104 84.537 -7.455 -7.879 1.00 0.00 O ATOM 1640 CB SER A 104 84.214 -4.610 -8.829 1.00 0.00 C ATOM 1641 OG SER A 104 85.525 -5.134 -9.004 1.00 0.00 O ATOM 0 H SER A 104 81.742 -4.456 -8.095 1.00 0.00 H new ATOM 0 HA SER A 104 83.256 -6.267 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.001 -3.870 -9.600 1.00 0.00 H new ATOM 0 HB3 SER A 104 84.140 -4.100 -7.868 1.00 0.00 H new ATOM 0 HG SER A 104 85.564 -6.045 -8.645 1.00 0.00 H new ATOM 1647 N LEU A 105 82.655 -6.869 -6.803 1.00 0.00 N ATOM 1648 CA LEU A 105 82.900 -7.799 -5.707 1.00 0.00 C ATOM 1649 C LEU A 105 82.204 -9.139 -5.924 1.00 0.00 C ATOM 1650 O LEU A 105 82.754 -10.187 -5.581 1.00 0.00 O ATOM 1651 CB LEU A 105 82.438 -7.169 -4.393 1.00 0.00 C ATOM 1652 CG LEU A 105 83.656 -6.836 -3.523 1.00 0.00 C ATOM 1653 CD1 LEU A 105 84.577 -8.058 -3.428 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.424 -5.663 -4.144 1.00 0.00 C ATOM 0 H LEU A 105 81.798 -6.323 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 105 83.971 -7.997 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.864 -6.264 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.777 -7.854 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 105 83.319 -6.562 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.441 -7.815 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.033 -8.890 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.914 -8.338 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.290 -5.427 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.757 -5.936 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.772 -4.792 -4.203 1.00 0.00 H new ATOM 1666 N LYS A 106 81.000 -9.111 -6.487 1.00 0.00 N ATOM 1667 CA LYS A 106 80.264 -10.347 -6.725 1.00 0.00 C ATOM 1668 C LYS A 106 80.847 -11.095 -7.921 1.00 0.00 C ATOM 1669 O LYS A 106 80.776 -12.322 -7.990 1.00 0.00 O ATOM 1670 CB LYS A 106 78.775 -10.051 -6.945 1.00 0.00 C ATOM 1671 CG LYS A 106 78.507 -9.660 -8.404 1.00 0.00 C ATOM 1672 CD LYS A 106 78.335 -10.919 -9.261 1.00 0.00 C ATOM 1673 CE LYS A 106 77.058 -10.804 -10.095 1.00 0.00 C ATOM 1674 NZ LYS A 106 76.976 -11.957 -11.035 1.00 0.00 N ATOM 0 H LYS A 106 80.520 -8.261 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 106 80.361 -10.982 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 106 78.183 -10.928 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 106 78.458 -9.245 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 106 77.610 -9.043 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 106 79.333 -9.060 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 106 79.198 -11.046 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 106 78.286 -11.801 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 106 76.185 -10.789 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 106 77.057 -9.866 -10.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 76.144 -11.845 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 77.836 -11.991 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 76.890 -12.841 -10.494 1.00 0.00 H new ATOM 1688 N GLU A 107 81.434 -10.346 -8.853 1.00 0.00 N ATOM 1689 CA GLU A 107 82.039 -10.950 -10.034 1.00 0.00 C ATOM 1690 C GLU A 107 83.155 -11.898 -9.612 1.00 0.00 C ATOM 1691 O GLU A 107 83.194 -13.057 -10.030 1.00 0.00 O ATOM 1692 CB GLU A 107 82.601 -9.859 -10.952 1.00 0.00 C ATOM 1693 CG GLU A 107 82.942 -10.451 -12.327 1.00 0.00 C ATOM 1694 CD GLU A 107 84.223 -11.280 -12.246 1.00 0.00 C ATOM 1695 OE1 GLU A 107 85.233 -10.738 -11.826 1.00 0.00 O ATOM 1696 OE2 GLU A 107 84.176 -12.445 -12.606 1.00 0.00 O ATOM 0 H GLU A 107 81.502 -9.329 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 107 81.278 -11.511 -10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 107 81.873 -9.056 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 107 83.493 -9.420 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 107 82.119 -11.075 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.065 -9.649 -13.055 1.00 0.00 H new ATOM 1703 N SER A 108 84.052 -11.398 -8.767 1.00 0.00 N ATOM 1704 CA SER A 108 85.163 -12.204 -8.273 1.00 0.00 C ATOM 1705 C SER A 108 84.638 -13.343 -7.405 1.00 0.00 C ATOM 1706 O SER A 108 85.299 -14.369 -7.240 1.00 0.00 O ATOM 1707 CB SER A 108 86.116 -11.331 -7.455 1.00 0.00 C ATOM 1708 OG SER A 108 86.462 -10.176 -8.210 1.00 0.00 O ATOM 0 H SER A 108 84.031 -10.442 -8.411 1.00 0.00 H new ATOM 0 HA SER A 108 85.700 -12.623 -9.124 1.00 0.00 H new ATOM 0 HB2 SER A 108 85.644 -11.038 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 108 87.013 -11.894 -7.199 1.00 0.00 H new ATOM 0 HG SER A 108 85.831 -9.454 -8.010 1.00 0.00 H new ATOM 1714 N ARG A 109 83.438 -13.152 -6.860 1.00 0.00 N ATOM 1715 CA ARG A 109 82.814 -14.164 -6.014 1.00 0.00 C ATOM 1716 C ARG A 109 82.311 -15.326 -6.867 1.00 0.00 C ATOM 1717 O ARG A 109 82.257 -16.468 -6.408 1.00 0.00 O ATOM 1718 CB ARG A 109 81.643 -13.543 -5.242 1.00 0.00 C ATOM 1719 CG ARG A 109 81.759 -13.884 -3.754 1.00 0.00 C ATOM 1720 CD ARG A 109 80.741 -13.060 -2.960 1.00 0.00 C ATOM 1721 NE ARG A 109 81.125 -11.651 -2.948 1.00 0.00 N ATOM 1722 CZ ARG A 109 80.220 -10.690 -2.775 1.00 0.00 C ATOM 1723 NH1 ARG A 109 79.332 -10.791 -1.825 1.00 0.00 N ATOM 1724 NH2 ARG A 109 80.224 -9.643 -3.551 1.00 0.00 N ATOM 0 H ARG A 109 82.881 -12.308 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 109 83.554 -14.539 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.640 -12.461 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 109 80.698 -13.916 -5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.581 -14.948 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.768 -13.674 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.751 -13.170 -3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 109 80.678 -13.435 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 109 82.105 -11.398 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 109 79.330 -11.607 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 109 78.639 -10.054 -1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.921 -9.560 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 109 79.530 -8.907 -3.418 1.00 0.00 H new ATOM 1738 N ASN A 110 81.947 -15.024 -8.112 1.00 0.00 N ATOM 1739 CA ASN A 110 81.453 -16.045 -9.031 1.00 0.00 C ATOM 1740 C ASN A 110 82.609 -16.868 -9.599 1.00 0.00 C ATOM 1741 O ASN A 110 82.393 -17.828 -10.341 1.00 0.00 O ATOM 1742 CB ASN A 110 80.680 -15.386 -10.179 1.00 0.00 C ATOM 1743 CG ASN A 110 79.218 -15.193 -9.785 1.00 0.00 C ATOM 1744 OD1 ASN A 110 78.415 -16.118 -9.902 1.00 0.00 O ATOM 1745 ND2 ASN A 110 78.822 -14.037 -9.326 1.00 0.00 N ATOM 0 H ASN A 110 81.985 -14.084 -8.506 1.00 0.00 H new ATOM 0 HA ASN A 110 80.789 -16.710 -8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 110 81.129 -14.423 -10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 110 80.745 -16.005 -11.074 1.00 0.00 H new ATOM 0 HD21 ASN A 110 77.846 -13.900 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 110 79.489 -13.271 -9.229 1.00 0.00 H new ATOM 1752 N SER A 111 83.836 -16.484 -9.245 1.00 0.00 N ATOM 1753 CA SER A 111 85.023 -17.192 -9.723 1.00 0.00 C ATOM 1754 C SER A 111 84.938 -18.677 -9.379 1.00 0.00 C ATOM 1755 O SER A 111 85.336 -19.531 -10.172 1.00 0.00 O ATOM 1756 CB SER A 111 86.280 -16.592 -9.092 1.00 0.00 C ATOM 1757 OG SER A 111 87.428 -17.260 -9.598 1.00 0.00 O ATOM 0 H SER A 111 84.033 -15.692 -8.633 1.00 0.00 H new ATOM 0 HA SER A 111 85.074 -17.084 -10.806 1.00 0.00 H new ATOM 0 HB2 SER A 111 86.338 -15.526 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 111 86.238 -16.690 -8.007 1.00 0.00 H new ATOM 0 HG SER A 111 88.234 -16.875 -9.195 1.00 0.00 H new ATOM 1763 N GLY A 112 84.415 -18.975 -8.191 1.00 0.00 N ATOM 1764 CA GLY A 112 84.277 -20.360 -7.750 1.00 0.00 C ATOM 1765 C GLY A 112 83.339 -21.131 -8.671 1.00 0.00 C ATOM 1766 O GLY A 112 83.574 -22.302 -8.974 1.00 0.00 O ATOM 0 H GLY A 112 84.082 -18.281 -7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 112 85.255 -20.841 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 112 83.894 -20.385 -6.730 1.00 0.00 H new ATOM 1770 N GLY A 113 82.278 -20.462 -9.118 1.00 0.00 N ATOM 1771 CA GLY A 113 81.309 -21.087 -10.012 1.00 0.00 C ATOM 1772 C GLY A 113 81.974 -21.523 -11.313 1.00 0.00 C ATOM 1773 O GLY A 113 81.759 -22.639 -11.789 1.00 0.00 O ATOM 0 H GLY A 113 82.069 -19.493 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 113 80.859 -21.950 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 113 80.502 -20.387 -10.228 1.00 0.00 H new ATOM 1777 N TYR A 114 82.788 -20.634 -11.882 1.00 0.00 N ATOM 1778 CA TYR A 114 83.488 -20.934 -13.128 1.00 0.00 C ATOM 1779 C TYR A 114 84.581 -21.974 -12.891 1.00 0.00 C ATOM 1780 O TYR A 114 85.190 -21.936 -11.834 1.00 0.00 O ATOM 1781 CB TYR A 114 84.108 -19.656 -13.702 1.00 0.00 C ATOM 1782 CG TYR A 114 84.246 -19.793 -15.202 1.00 0.00 C ATOM 1783 CD1 TYR A 114 85.413 -20.337 -15.753 1.00 0.00 C ATOM 1784 CD2 TYR A 114 83.203 -19.380 -16.040 1.00 0.00 C ATOM 1785 CE1 TYR A 114 85.537 -20.467 -17.141 1.00 0.00 C ATOM 1786 CE2 TYR A 114 83.327 -19.511 -17.428 1.00 0.00 C ATOM 1787 CZ TYR A 114 84.494 -20.055 -17.979 1.00 0.00 C ATOM 1788 OH TYR A 114 84.616 -20.185 -19.347 1.00 0.00 O ATOM 1789 OXT TYR A 114 84.794 -22.792 -13.771 1.00 0.00 O ATOM 0 H TYR A 114 82.977 -19.707 -11.502 1.00 0.00 H new ATOM 0 HA TYR A 114 82.768 -21.337 -13.840 1.00 0.00 H new ATOM 0 HB2 TYR A 114 83.484 -18.796 -13.460 1.00 0.00 H new ATOM 0 HB3 TYR A 114 85.084 -19.478 -13.251 1.00 0.00 H new ATOM 0 HD1 TYR A 114 86.217 -20.656 -15.107 1.00 0.00 H new ATOM 0 HD2 TYR A 114 82.303 -18.960 -15.615 1.00 0.00 H new ATOM 0 HE1 TYR A 114 86.438 -20.885 -17.566 1.00 0.00 H new ATOM 0 HE2 TYR A 114 82.522 -19.192 -18.074 1.00 0.00 H new ATOM 0 HH TYR A 114 83.803 -19.853 -19.781 1.00 0.00 H new TER 1799 TYR A 114