USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 745 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 83 MET CE :methyl 143:sc= -4.86 (180deg=-9.28!) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= -0.343 USER MOD Set 2.1: A 32 TYR OH : rot -30:sc= -0.748 USER MOD Set 2.2: A 34 MET CE :methyl -112:sc= -3.51! (180deg=-6.3!) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= -2.4 USER MOD Set 3.2: A 69 THR OG1 : rot -160:sc= 0.12 USER MOD Set 3.3: A 82 GLN : amide:sc= 0.0355 X(o=-4.1,f=-4.2) USER MOD Set 3.4: A 84 ASN : amide:sc= -1.87 K(o=-4.1,f=-7.7!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.6!) USER MOD Single : A 7 SER OG : rot 10:sc= 0.195! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.368 USER MOD Single : A 39 GLN : amide:sc= -3.36 K(o=-3.4,f=-6.4!) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.0641 (180deg=-0.343) USER MOD Single : A 47 SER OG : rot 180:sc= -0.641 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.27 F(o=-3.3,f=-2.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 62 SER OG : rot 180:sc= 0.00967 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 34:sc= 0.261 USER MOD Single : A 74 ASN :FLIP amide:sc= -1.04 F(o=-3,f=-1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -14:sc= -1.09 USER MOD Single : A 80 TYR OH : rot 30:sc= -1.51 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 170:sc= -2.48! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.0079) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.583 F(o=-2.8,f=-0.58) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 9.839 10.558 -0.193 1.00 0.00 N ATOM 37 CA GLN A 3 8.448 10.842 -0.531 1.00 0.00 C ATOM 38 C GLN A 3 7.810 9.657 -1.249 1.00 0.00 C ATOM 39 O GLN A 3 8.504 8.751 -1.711 1.00 0.00 O ATOM 40 CB GLN A 3 8.360 12.092 -1.409 1.00 0.00 C ATOM 41 CG GLN A 3 9.345 12.094 -2.566 1.00 0.00 C ATOM 42 CD GLN A 3 9.691 13.493 -3.036 1.00 0.00 C ATOM 43 OE1 GLN A 3 9.131 13.988 -4.014 1.00 0.00 O ATOM 44 NE2 GLN A 3 10.618 14.140 -2.339 1.00 0.00 N ATOM 0 HA GLN A 3 7.903 11.018 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.348 12.177 -1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.536 12.973 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.257 11.581 -2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.924 11.529 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.057 13.692 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.891 15.085 -2.608 1.00 0.00 H new ATOM 53 N LEU A 4 6.484 9.669 -1.338 1.00 0.00 N ATOM 54 CA LEU A 4 5.752 8.594 -1.998 1.00 0.00 C ATOM 55 C LEU A 4 4.593 9.148 -2.821 1.00 0.00 C ATOM 56 O LEU A 4 3.851 10.016 -2.361 1.00 0.00 O ATOM 57 CB LEU A 4 5.228 7.595 -0.964 1.00 0.00 C ATOM 58 CG LEU A 4 6.294 6.704 -0.324 1.00 0.00 C ATOM 59 CD1 LEU A 4 6.989 7.436 0.814 1.00 0.00 C ATOM 60 CD2 LEU A 4 5.675 5.406 0.172 1.00 0.00 C ATOM 0 H LEU A 4 5.894 10.411 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 4 6.439 8.082 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.717 8.147 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.483 6.958 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 4 7.040 6.461 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.744 6.786 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.466 8.337 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.255 7.710 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.447 4.784 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.908 5.629 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.225 4.874 -0.666 1.00 0.00 H new ATOM 72 N GLN A 5 4.443 8.639 -4.040 1.00 0.00 N ATOM 73 CA GLN A 5 3.373 9.081 -4.929 1.00 0.00 C ATOM 74 C GLN A 5 2.631 7.887 -5.521 1.00 0.00 C ATOM 75 O GLN A 5 3.249 6.949 -6.024 1.00 0.00 O ATOM 76 CB GLN A 5 3.942 9.950 -6.052 1.00 0.00 C ATOM 77 CG GLN A 5 4.923 11.006 -5.567 1.00 0.00 C ATOM 78 CD GLN A 5 6.329 10.463 -5.407 1.00 0.00 C ATOM 79 OE1 GLN A 5 6.808 10.268 -4.290 1.00 0.00 O ATOM 80 NE2 GLN A 5 7.000 10.217 -6.527 1.00 0.00 N ATOM 0 H GLN A 5 5.049 7.920 -4.435 1.00 0.00 H new ATOM 0 HA GLN A 5 2.668 9.671 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.441 9.309 -6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.120 10.441 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.936 11.837 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.580 11.404 -4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.564 10.393 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.951 9.852 -6.482 1.00 0.00 H new ATOM 89 N GLU A 6 1.304 7.928 -5.457 1.00 0.00 N ATOM 90 CA GLU A 6 0.480 6.846 -5.987 1.00 0.00 C ATOM 91 C GLU A 6 0.219 7.040 -7.476 1.00 0.00 C ATOM 92 O GLU A 6 0.431 8.125 -8.019 1.00 0.00 O ATOM 93 CB GLU A 6 -0.853 6.756 -5.232 1.00 0.00 C ATOM 94 CG GLU A 6 -0.794 7.289 -3.809 1.00 0.00 C ATOM 95 CD GLU A 6 -1.326 8.704 -3.695 1.00 0.00 C ATOM 96 OE1 GLU A 6 -2.401 8.982 -4.268 1.00 0.00 O ATOM 97 OE2 GLU A 6 -0.667 9.534 -3.034 1.00 0.00 O ATOM 0 H GLU A 6 0.776 8.697 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 6 1.027 5.914 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.611 7.310 -5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.175 5.715 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.370 6.634 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.237 7.263 -3.457 1.00 0.00 H new ATOM 104 N SER A 7 -0.241 5.980 -8.131 1.00 0.00 N ATOM 105 CA SER A 7 -0.532 6.029 -9.559 1.00 0.00 C ATOM 106 C SER A 7 -1.512 4.929 -9.951 1.00 0.00 C ATOM 107 O SER A 7 -1.179 3.745 -9.913 1.00 0.00 O ATOM 108 CB SER A 7 0.759 5.890 -10.369 1.00 0.00 C ATOM 109 OG SER A 7 1.225 4.552 -10.358 1.00 0.00 O ATOM 0 H SER A 7 -0.421 5.075 -7.695 1.00 0.00 H new ATOM 0 HA SER A 7 -0.989 6.994 -9.779 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.584 6.209 -11.396 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.524 6.548 -9.957 1.00 0.00 H new ATOM 0 HG SER A 7 0.541 3.971 -9.964 1.00 0.00 H new ATOM 115 N GLY A 8 -2.723 5.328 -10.325 1.00 0.00 N ATOM 116 CA GLY A 8 -3.732 4.363 -10.715 1.00 0.00 C ATOM 117 C GLY A 8 -4.602 3.936 -9.550 1.00 0.00 C ATOM 118 O GLY A 8 -4.346 2.910 -8.920 1.00 0.00 O ATOM 0 H GLY A 8 -3.023 6.302 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.360 4.793 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.246 3.486 -11.143 1.00 0.00 H new ATOM 122 N GLY A 9 -5.634 4.723 -9.267 1.00 0.00 N ATOM 123 CA GLY A 9 -6.529 4.411 -8.181 1.00 0.00 C ATOM 124 C GLY A 9 -7.835 5.176 -8.266 1.00 0.00 C ATOM 125 O GLY A 9 -7.858 6.333 -8.684 1.00 0.00 O ATOM 0 H GLY A 9 -5.863 5.576 -9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.738 3.341 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.039 4.639 -7.234 1.00 0.00 H new ATOM 129 N GLY A 10 -8.924 4.525 -7.873 1.00 0.00 N ATOM 130 CA GLY A 10 -10.226 5.164 -7.918 1.00 0.00 C ATOM 131 C GLY A 10 -11.347 4.225 -7.525 1.00 0.00 C ATOM 132 O GLY A 10 -11.128 3.248 -6.808 1.00 0.00 O ATOM 0 H GLY A 10 -8.929 3.567 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.227 6.026 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.408 5.540 -8.925 1.00 0.00 H new ATOM 136 N LEU A 11 -12.552 4.530 -7.987 1.00 0.00 N ATOM 137 CA LEU A 11 -13.718 3.725 -7.679 1.00 0.00 C ATOM 138 C LEU A 11 -13.650 2.365 -8.363 1.00 0.00 C ATOM 139 O LEU A 11 -13.174 2.248 -9.492 1.00 0.00 O ATOM 140 CB LEU A 11 -14.981 4.463 -8.107 1.00 0.00 C ATOM 141 CG LEU A 11 -15.078 5.878 -7.553 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.887 6.905 -8.659 1.00 0.00 C ATOM 143 CD2 LEU A 11 -16.406 6.092 -6.841 1.00 0.00 C ATOM 0 H LEU A 11 -12.744 5.337 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.741 3.557 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -15.016 4.505 -9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.852 3.894 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.279 6.011 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.960 7.909 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.905 6.772 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.659 6.771 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.451 7.110 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.225 5.934 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.494 5.386 -6.015 1.00 0.00 H new ATOM 155 N VAL A 12 -14.129 1.338 -7.669 1.00 0.00 N ATOM 156 CA VAL A 12 -14.122 -0.017 -8.206 1.00 0.00 C ATOM 157 C VAL A 12 -15.303 -0.825 -7.676 1.00 0.00 C ATOM 158 O VAL A 12 -15.515 -0.915 -6.467 1.00 0.00 O ATOM 159 CB VAL A 12 -12.811 -0.748 -7.861 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.627 -0.841 -6.354 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.781 -2.132 -8.499 1.00 0.00 C ATOM 0 H VAL A 12 -14.527 1.419 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.206 0.069 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.981 -0.170 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.695 -1.361 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.593 0.162 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.461 -1.391 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.846 -2.631 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.620 -2.721 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.855 -2.035 -9.582 1.00 0.00 H new ATOM 171 N GLN A 13 -16.068 -1.412 -8.591 1.00 0.00 N ATOM 172 CA GLN A 13 -17.223 -2.210 -8.228 1.00 0.00 C ATOM 173 C GLN A 13 -16.824 -3.387 -7.342 1.00 0.00 C ATOM 174 O GLN A 13 -15.793 -4.022 -7.563 1.00 0.00 O ATOM 175 CB GLN A 13 -17.908 -2.710 -9.498 1.00 0.00 C ATOM 176 CG GLN A 13 -17.109 -3.762 -10.254 1.00 0.00 C ATOM 177 CD GLN A 13 -16.879 -3.390 -11.706 1.00 0.00 C ATOM 178 OE1 GLN A 13 -15.873 -2.767 -12.047 1.00 0.00 O ATOM 179 NE2 GLN A 13 -17.812 -3.771 -12.570 1.00 0.00 N ATOM 0 H GLN A 13 -15.903 -1.346 -9.595 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.914 -1.588 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -18.881 -3.126 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.091 -1.862 -10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.146 -3.904 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.635 -4.716 -10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.630 -4.286 -12.243 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.711 -3.549 -13.560 1.00 0.00 H new ATOM 188 N ALA A 14 -17.648 -3.671 -6.337 1.00 0.00 N ATOM 189 CA ALA A 14 -17.385 -4.768 -5.414 1.00 0.00 C ATOM 190 C ALA A 14 -17.128 -6.073 -6.162 1.00 0.00 C ATOM 191 O ALA A 14 -17.825 -6.397 -7.123 1.00 0.00 O ATOM 192 CB ALA A 14 -18.549 -4.933 -4.449 1.00 0.00 C ATOM 0 H ALA A 14 -18.505 -3.154 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.486 -4.524 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.341 -5.755 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.683 -4.013 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.459 -5.149 -5.010 1.00 0.00 H new ATOM 198 N GLY A 15 -16.123 -6.819 -5.713 1.00 0.00 N ATOM 199 CA GLY A 15 -15.794 -8.080 -6.352 1.00 0.00 C ATOM 200 C GLY A 15 -14.755 -7.928 -7.447 1.00 0.00 C ATOM 201 O GLY A 15 -14.160 -8.913 -7.885 1.00 0.00 O ATOM 0 H GLY A 15 -15.532 -6.573 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.425 -8.778 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.700 -8.516 -6.774 1.00 0.00 H new ATOM 205 N GLY A 16 -14.535 -6.694 -7.892 1.00 0.00 N ATOM 206 CA GLY A 16 -13.560 -6.446 -8.938 1.00 0.00 C ATOM 207 C GLY A 16 -12.138 -6.449 -8.415 1.00 0.00 C ATOM 208 O GLY A 16 -11.846 -7.075 -7.395 1.00 0.00 O ATOM 0 H GLY A 16 -15.014 -5.862 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.661 -7.206 -9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.770 -5.484 -9.406 1.00 0.00 H new ATOM 212 N SER A 17 -11.249 -5.750 -9.113 1.00 0.00 N ATOM 213 CA SER A 17 -9.852 -5.678 -8.710 1.00 0.00 C ATOM 214 C SER A 17 -9.275 -4.292 -8.967 1.00 0.00 C ATOM 215 O SER A 17 -9.546 -3.673 -9.996 1.00 0.00 O ATOM 216 CB SER A 17 -9.030 -6.731 -9.453 1.00 0.00 C ATOM 217 OG SER A 17 -8.168 -7.424 -8.568 1.00 0.00 O ATOM 0 H SER A 17 -11.472 -5.226 -9.959 1.00 0.00 H new ATOM 0 HA SER A 17 -9.802 -5.875 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.698 -7.439 -9.943 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.443 -6.252 -10.237 1.00 0.00 H new ATOM 0 HG SER A 17 -7.655 -8.093 -9.068 1.00 0.00 H new ATOM 223 N LEU A 18 -8.474 -3.814 -8.022 1.00 0.00 N ATOM 224 CA LEU A 18 -7.849 -2.504 -8.134 1.00 0.00 C ATOM 225 C LEU A 18 -6.334 -2.620 -7.998 1.00 0.00 C ATOM 226 O LEU A 18 -5.834 -3.329 -7.125 1.00 0.00 O ATOM 227 CB LEU A 18 -8.404 -1.567 -7.064 1.00 0.00 C ATOM 228 CG LEU A 18 -7.880 -0.137 -7.134 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.680 0.676 -8.140 1.00 0.00 C ATOM 230 CD2 LEU A 18 -7.921 0.514 -5.760 1.00 0.00 C ATOM 0 H LEU A 18 -8.242 -4.318 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.076 -2.093 -9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.491 -1.546 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.168 -1.978 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.843 -0.165 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.292 1.694 -8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.595 0.220 -9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.728 0.698 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.543 1.534 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.948 0.531 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.301 -0.056 -5.069 1.00 0.00 H new ATOM 242 N ARG A 19 -5.605 -1.931 -8.870 1.00 0.00 N ATOM 243 CA ARG A 19 -4.146 -1.973 -8.845 1.00 0.00 C ATOM 244 C ARG A 19 -3.550 -0.595 -8.572 1.00 0.00 C ATOM 245 O ARG A 19 -3.694 0.326 -9.375 1.00 0.00 O ATOM 246 CB ARG A 19 -3.612 -2.515 -10.171 1.00 0.00 C ATOM 247 CG ARG A 19 -2.159 -2.957 -10.107 1.00 0.00 C ATOM 248 CD ARG A 19 -1.230 -1.911 -10.702 1.00 0.00 C ATOM 249 NE ARG A 19 0.051 -2.484 -11.109 1.00 0.00 N ATOM 250 CZ ARG A 19 0.244 -3.135 -12.254 1.00 0.00 C ATOM 251 NH1 ARG A 19 -0.759 -3.303 -13.107 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.442 -3.619 -12.548 1.00 0.00 N ATOM 0 H ARG A 19 -5.999 -1.338 -9.601 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.848 -2.637 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.227 -3.360 -10.482 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.716 -1.746 -10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.880 -3.145 -9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.040 -3.898 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.710 -1.448 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.058 -1.121 -9.971 1.00 0.00 H new ATOM 0 HE ARG A 19 0.845 -2.379 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.683 -2.932 -12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.605 -3.803 -13.983 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.217 -3.493 -11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.589 -4.118 -13.425 1.00 0.00 H new ATOM 266 N LEU A 20 -2.875 -0.465 -7.432 1.00 0.00 N ATOM 267 CA LEU A 20 -2.249 0.796 -7.051 1.00 0.00 C ATOM 268 C LEU A 20 -0.728 0.673 -7.059 1.00 0.00 C ATOM 269 O LEU A 20 -0.169 -0.279 -6.514 1.00 0.00 O ATOM 270 CB LEU A 20 -2.728 1.225 -5.664 1.00 0.00 C ATOM 271 CG LEU A 20 -4.217 1.006 -5.403 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.584 1.438 -3.992 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.046 1.759 -6.430 1.00 0.00 C ATOM 0 H LEU A 20 -2.748 -1.219 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.538 1.553 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.158 0.678 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.502 2.283 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.434 -0.058 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.649 1.274 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.011 0.854 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.356 2.496 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.105 1.595 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.826 2.824 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.802 1.398 -7.429 1.00 0.00 H new ATOM 285 N SER A 21 -0.065 1.643 -7.679 1.00 0.00 N ATOM 286 CA SER A 21 1.393 1.648 -7.759 1.00 0.00 C ATOM 287 C SER A 21 1.969 2.904 -7.115 1.00 0.00 C ATOM 288 O SER A 21 1.774 4.013 -7.613 1.00 0.00 O ATOM 289 CB SER A 21 1.849 1.559 -9.214 1.00 0.00 C ATOM 290 OG SER A 21 0.855 0.964 -10.029 1.00 0.00 O ATOM 0 H SER A 21 -0.514 2.438 -8.134 1.00 0.00 H new ATOM 0 HA SER A 21 1.761 0.777 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.079 2.557 -9.587 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.768 0.977 -9.274 1.00 0.00 H new ATOM 0 HG SER A 21 1.174 0.921 -10.955 1.00 0.00 H new ATOM 296 N CYS A 22 2.682 2.724 -6.009 1.00 0.00 N ATOM 297 CA CYS A 22 3.288 3.846 -5.302 1.00 0.00 C ATOM 298 C CYS A 22 4.806 3.811 -5.432 1.00 0.00 C ATOM 299 O CYS A 22 5.448 2.824 -5.074 1.00 0.00 O ATOM 300 CB CYS A 22 2.885 3.827 -3.827 1.00 0.00 C ATOM 301 SG CYS A 22 1.491 4.931 -3.429 1.00 0.00 S ATOM 0 H CYS A 22 2.854 1.813 -5.583 1.00 0.00 H new ATOM 0 HA CYS A 22 2.925 4.769 -5.754 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.620 2.808 -3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.746 4.112 -3.222 1.00 0.00 H new ATOM 306 N ALA A 23 5.373 4.895 -5.952 1.00 0.00 N ATOM 307 CA ALA A 23 6.816 4.988 -6.134 1.00 0.00 C ATOM 308 C ALA A 23 7.462 5.813 -5.026 1.00 0.00 C ATOM 309 O ALA A 23 6.780 6.517 -4.283 1.00 0.00 O ATOM 310 CB ALA A 23 7.137 5.588 -7.495 1.00 0.00 C ATOM 0 H ALA A 23 4.855 5.720 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 23 7.227 3.980 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.218 5.652 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.719 4.956 -8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.704 6.586 -7.564 1.00 0.00 H new ATOM 316 N ALA A 24 8.784 5.720 -4.925 1.00 0.00 N ATOM 317 CA ALA A 24 9.530 6.456 -3.911 1.00 0.00 C ATOM 318 C ALA A 24 10.971 6.684 -4.354 1.00 0.00 C ATOM 319 O ALA A 24 11.610 5.787 -4.904 1.00 0.00 O ATOM 320 CB ALA A 24 9.494 5.712 -2.585 1.00 0.00 C ATOM 0 H ALA A 24 9.362 5.141 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 24 9.058 7.429 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.055 6.273 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.460 5.603 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.941 4.726 -2.709 1.00 0.00 H new ATOM 414 N TYR A 32 15.024 0.290 4.541 1.00 0.00 N ATOM 415 CA TYR A 32 13.784 0.974 4.215 1.00 0.00 C ATOM 416 C TYR A 32 12.884 0.084 3.357 1.00 0.00 C ATOM 417 O TYR A 32 13.323 -0.486 2.358 1.00 0.00 O ATOM 418 CB TYR A 32 14.120 2.287 3.492 1.00 0.00 C ATOM 419 CG TYR A 32 13.225 2.631 2.317 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.332 1.944 1.113 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.283 3.648 2.409 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.525 2.259 0.036 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.474 3.969 1.335 1.00 0.00 C ATOM 424 CZ TYR A 32 11.598 3.272 0.153 1.00 0.00 C ATOM 425 OH TYR A 32 10.794 3.589 -0.917 1.00 0.00 O ATOM 0 HA TYR A 32 13.236 1.198 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.072 3.102 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 32 15.150 2.234 3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.058 1.150 1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.181 4.196 3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.620 1.714 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.747 4.763 1.422 1.00 0.00 H new ATOM 0 HH TYR A 32 11.270 3.398 -1.752 1.00 0.00 H new ATOM 435 N ASP A 33 11.623 -0.033 3.765 1.00 0.00 N ATOM 436 CA ASP A 33 10.654 -0.855 3.048 1.00 0.00 C ATOM 437 C ASP A 33 9.535 0.005 2.469 1.00 0.00 C ATOM 438 O ASP A 33 9.588 1.233 2.532 1.00 0.00 O ATOM 439 CB ASP A 33 10.069 -1.912 3.984 1.00 0.00 C ATOM 440 CG ASP A 33 11.142 -2.756 4.644 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.167 -3.033 3.986 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.958 -3.139 5.818 1.00 0.00 O ATOM 0 H ASP A 33 11.248 0.433 4.591 1.00 0.00 H new ATOM 0 HA ASP A 33 11.168 -1.350 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.472 -1.422 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.396 -2.559 3.422 1.00 0.00 H new ATOM 447 N MET A 34 8.521 -0.646 1.904 1.00 0.00 N ATOM 448 CA MET A 34 7.393 0.067 1.316 1.00 0.00 C ATOM 449 C MET A 34 6.094 -0.713 1.502 1.00 0.00 C ATOM 450 O MET A 34 5.997 -1.875 1.110 1.00 0.00 O ATOM 451 CB MET A 34 7.645 0.316 -0.172 1.00 0.00 C ATOM 452 CG MET A 34 8.096 1.734 -0.484 1.00 0.00 C ATOM 453 SD MET A 34 8.203 2.054 -2.255 1.00 0.00 S ATOM 454 CE MET A 34 9.539 0.955 -2.719 1.00 0.00 C ATOM 0 H MET A 34 8.458 -1.662 1.842 1.00 0.00 H new ATOM 0 HA MET A 34 7.293 1.024 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.403 -0.383 -0.526 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.731 0.104 -0.727 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.399 2.440 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.070 1.910 -0.027 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.408 1.543 -3.015 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.801 0.322 -1.871 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.222 0.330 -3.554 1.00 0.00 H new ATOM 464 N GLY A 35 5.096 -0.067 2.101 1.00 0.00 N ATOM 465 CA GLY A 35 3.820 -0.724 2.325 1.00 0.00 C ATOM 466 C GLY A 35 2.649 0.238 2.290 1.00 0.00 C ATOM 467 O GLY A 35 2.801 1.424 2.579 1.00 0.00 O ATOM 0 H GLY A 35 5.148 0.896 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.675 -1.493 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.841 -1.228 3.291 1.00 0.00 H new ATOM 471 N TRP A 36 1.475 -0.276 1.930 1.00 0.00 N ATOM 472 CA TRP A 36 0.274 0.537 1.852 1.00 0.00 C ATOM 473 C TRP A 36 -0.453 0.585 3.189 1.00 0.00 C ATOM 474 O TRP A 36 -0.325 -0.319 4.016 1.00 0.00 O ATOM 475 CB TRP A 36 -0.654 -0.014 0.781 1.00 0.00 C ATOM 476 CG TRP A 36 -0.108 0.110 -0.608 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.825 -0.695 -1.197 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.463 1.095 -1.585 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.072 -0.270 -2.480 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.293 0.828 -2.742 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.347 2.178 -1.594 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.191 1.603 -3.894 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.448 2.947 -2.738 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.682 2.656 -3.874 1.00 0.00 C ATOM 0 H TRP A 36 1.335 -1.257 1.688 1.00 0.00 H new ATOM 0 HA TRP A 36 0.572 1.553 1.593 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.854 -1.065 0.991 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.609 0.509 0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.299 -1.542 -0.723 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.728 -0.701 -3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.941 2.410 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.780 1.381 -4.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.128 3.786 -2.756 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.783 3.276 -4.753 1.00 0.00 H new ATOM 495 N PHE A 37 -1.216 1.651 3.390 1.00 0.00 N ATOM 496 CA PHE A 37 -1.968 1.841 4.612 1.00 0.00 C ATOM 497 C PHE A 37 -3.397 2.269 4.292 1.00 0.00 C ATOM 498 O PHE A 37 -3.770 2.390 3.125 1.00 0.00 O ATOM 499 CB PHE A 37 -1.292 2.908 5.466 1.00 0.00 C ATOM 500 CG PHE A 37 -0.225 2.378 6.381 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.930 1.811 5.868 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.375 2.457 7.757 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.916 1.331 6.710 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.608 1.980 8.604 1.00 0.00 C ATOM 505 CZ PHE A 37 1.755 1.416 8.079 1.00 0.00 C ATOM 0 H PHE A 37 -1.328 2.403 2.710 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.997 0.899 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.852 3.658 4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.050 3.413 6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.062 1.743 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.270 2.896 8.172 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.811 0.890 6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.480 2.048 9.674 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.524 1.042 8.738 1.00 0.00 H new ATOM 515 N ARG A 38 -4.190 2.504 5.330 1.00 0.00 N ATOM 516 CA ARG A 38 -5.571 2.926 5.147 1.00 0.00 C ATOM 517 C ARG A 38 -6.050 3.743 6.344 1.00 0.00 C ATOM 518 O ARG A 38 -5.491 3.643 7.436 1.00 0.00 O ATOM 519 CB ARG A 38 -6.472 1.710 4.941 1.00 0.00 C ATOM 520 CG ARG A 38 -6.282 0.623 5.985 1.00 0.00 C ATOM 521 CD ARG A 38 -6.818 -0.715 5.499 1.00 0.00 C ATOM 522 NE ARG A 38 -8.128 -1.019 6.070 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.989 -1.881 5.534 1.00 0.00 C ATOM 524 NH1 ARG A 38 -8.684 -2.528 4.416 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.159 -2.097 6.118 1.00 0.00 N ATOM 0 H ARG A 38 -3.901 2.410 6.304 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.623 3.557 4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.513 2.034 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.280 1.290 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.223 0.527 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.792 0.908 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.890 -0.703 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.115 -1.505 5.763 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.399 -0.542 6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.785 -2.366 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.349 -3.187 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.399 -1.603 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.819 -2.757 5.708 1.00 0.00 H new ATOM 539 N GLN A 39 -7.083 4.556 6.136 1.00 0.00 N ATOM 540 CA GLN A 39 -7.618 5.388 7.209 1.00 0.00 C ATOM 541 C GLN A 39 -9.131 5.545 7.088 1.00 0.00 C ATOM 542 O GLN A 39 -9.675 5.607 5.985 1.00 0.00 O ATOM 543 CB GLN A 39 -6.944 6.763 7.196 1.00 0.00 C ATOM 544 CG GLN A 39 -6.265 7.121 8.508 1.00 0.00 C ATOM 545 CD GLN A 39 -7.256 7.436 9.612 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.461 7.523 9.374 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.751 7.610 10.828 1.00 0.00 N ATOM 0 H GLN A 39 -7.563 4.656 5.241 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.405 4.892 8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.205 6.788 6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.691 7.522 6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.629 6.293 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.614 7.982 8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.746 7.528 10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.369 7.825 11.611 1.00 0.00 H new ATOM 556 N ALA A 40 -9.802 5.615 8.233 1.00 0.00 N ATOM 557 CA ALA A 40 -11.251 5.772 8.269 1.00 0.00 C ATOM 558 C ALA A 40 -11.650 6.857 9.265 1.00 0.00 C ATOM 559 O ALA A 40 -10.939 7.105 10.239 1.00 0.00 O ATOM 560 CB ALA A 40 -11.918 4.452 8.624 1.00 0.00 C ATOM 0 H ALA A 40 -9.363 5.565 9.152 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.589 6.076 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.000 4.585 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.661 3.702 7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.572 4.122 9.604 1.00 0.00 H new ATOM 566 N PRO A 41 -12.791 7.527 9.035 1.00 0.00 N ATOM 567 CA PRO A 41 -13.267 8.593 9.921 1.00 0.00 C ATOM 568 C PRO A 41 -13.724 8.068 11.269 1.00 0.00 C ATOM 569 O PRO A 41 -14.348 7.011 11.363 1.00 0.00 O ATOM 570 CB PRO A 41 -14.435 9.209 9.150 1.00 0.00 C ATOM 571 CG PRO A 41 -14.916 8.118 8.256 1.00 0.00 C ATOM 572 CD PRO A 41 -13.701 7.307 7.895 1.00 0.00 C ATOM 0 HA PRO A 41 -12.478 9.308 10.156 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.223 9.544 9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.116 10.079 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.660 7.501 8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.391 8.526 7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.944 6.252 7.773 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.258 7.642 6.957 1.00 0.00 H new ATOM 580 N GLY A 42 -13.384 8.809 12.318 1.00 0.00 N ATOM 581 CA GLY A 42 -13.740 8.399 13.659 1.00 0.00 C ATOM 582 C GLY A 42 -12.825 7.305 14.174 1.00 0.00 C ATOM 583 O GLY A 42 -12.904 6.916 15.339 1.00 0.00 O ATOM 0 H GLY A 42 -12.868 9.687 12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.691 9.259 14.327 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.771 8.046 13.670 1.00 0.00 H new ATOM 587 N LYS A 43 -11.959 6.797 13.296 1.00 0.00 N ATOM 588 CA LYS A 43 -11.036 5.738 13.654 1.00 0.00 C ATOM 589 C LYS A 43 -9.589 6.209 13.523 1.00 0.00 C ATOM 590 O LYS A 43 -9.325 7.403 13.387 1.00 0.00 O ATOM 591 CB LYS A 43 -11.285 4.550 12.738 1.00 0.00 C ATOM 592 CG LYS A 43 -11.065 3.199 13.401 1.00 0.00 C ATOM 593 CD LYS A 43 -12.383 2.518 13.734 1.00 0.00 C ATOM 594 CE LYS A 43 -12.195 1.412 14.759 1.00 0.00 C ATOM 595 NZ LYS A 43 -11.816 1.951 16.095 1.00 0.00 N ATOM 0 H LYS A 43 -11.884 7.109 12.328 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.199 5.452 14.693 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.309 4.599 12.368 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.628 4.629 11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.481 2.559 12.739 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.482 3.331 14.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.088 3.255 14.118 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.819 2.103 12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.118 0.838 14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.424 0.724 14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.039 1.248 16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.797 2.156 16.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.348 2.825 16.280 1.00 0.00 H new ATOM 609 N GLU A 44 -8.656 5.262 13.556 1.00 0.00 N ATOM 610 CA GLU A 44 -7.240 5.578 13.432 1.00 0.00 C ATOM 611 C GLU A 44 -6.692 5.069 12.103 1.00 0.00 C ATOM 612 O GLU A 44 -7.448 4.618 11.242 1.00 0.00 O ATOM 613 CB GLU A 44 -6.454 4.964 14.592 1.00 0.00 C ATOM 614 CG GLU A 44 -6.507 3.445 14.625 1.00 0.00 C ATOM 615 CD GLU A 44 -5.149 2.819 14.874 1.00 0.00 C ATOM 616 OE1 GLU A 44 -4.134 3.419 14.460 1.00 0.00 O ATOM 617 OE2 GLU A 44 -5.099 1.729 15.481 1.00 0.00 O ATOM 0 H GLU A 44 -8.857 4.268 13.668 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.127 6.662 13.464 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.414 5.282 14.524 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.845 5.354 15.532 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.198 3.126 15.405 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.904 3.078 13.678 1.00 0.00 H new ATOM 624 N ARG A 45 -5.376 5.143 11.941 1.00 0.00 N ATOM 625 CA ARG A 45 -4.737 4.686 10.713 1.00 0.00 C ATOM 626 C ARG A 45 -4.176 3.277 10.882 1.00 0.00 C ATOM 627 O ARG A 45 -3.518 2.974 11.877 1.00 0.00 O ATOM 628 CB ARG A 45 -3.623 5.654 10.297 1.00 0.00 C ATOM 629 CG ARG A 45 -2.356 5.529 11.129 1.00 0.00 C ATOM 630 CD ARG A 45 -1.283 6.498 10.658 1.00 0.00 C ATOM 631 NE ARG A 45 -0.015 6.292 11.355 1.00 0.00 N ATOM 632 CZ ARG A 45 0.243 6.756 12.575 1.00 0.00 C ATOM 633 NH1 ARG A 45 -0.675 7.447 13.238 1.00 0.00 N ATOM 634 NH2 ARG A 45 1.423 6.526 13.135 1.00 0.00 N ATOM 0 H ARG A 45 -4.733 5.513 12.641 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.492 4.661 9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.377 5.481 9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.996 6.675 10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.587 5.721 12.177 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.978 4.508 11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.131 6.377 9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.623 7.521 10.818 1.00 0.00 H new ATOM 0 HE ARG A 45 0.714 5.762 10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.585 7.625 12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.471 7.800 14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.132 5.994 12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.622 6.881 14.070 1.00 0.00 H new ATOM 648 N GLU A 46 -4.439 2.421 9.901 1.00 0.00 N ATOM 649 CA GLU A 46 -3.961 1.046 9.936 1.00 0.00 C ATOM 650 C GLU A 46 -3.309 0.676 8.610 1.00 0.00 C ATOM 651 O GLU A 46 -3.651 1.231 7.568 1.00 0.00 O ATOM 652 CB GLU A 46 -5.118 0.093 10.236 1.00 0.00 C ATOM 653 CG GLU A 46 -6.241 0.159 9.214 1.00 0.00 C ATOM 654 CD GLU A 46 -7.606 -0.075 9.832 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.731 -0.998 10.665 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.550 0.664 9.483 1.00 0.00 O ATOM 0 H GLU A 46 -4.982 2.657 9.070 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.216 0.958 10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.736 -0.927 10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.521 0.324 11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.229 1.135 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.065 -0.586 8.438 1.00 0.00 H new ATOM 663 N SER A 47 -2.367 -0.257 8.651 1.00 0.00 N ATOM 664 CA SER A 47 -1.675 -0.685 7.452 1.00 0.00 C ATOM 665 C SER A 47 -2.477 -1.735 6.704 1.00 0.00 C ATOM 666 O SER A 47 -3.518 -2.199 7.170 1.00 0.00 O ATOM 667 CB SER A 47 -0.296 -1.236 7.806 1.00 0.00 C ATOM 668 OG SER A 47 0.234 -2.025 6.754 1.00 0.00 O ATOM 0 H SER A 47 -2.068 -0.729 9.504 1.00 0.00 H new ATOM 0 HA SER A 47 -1.558 0.183 6.803 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.383 -0.411 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.365 -1.836 8.713 1.00 0.00 H new ATOM 0 HG SER A 47 1.118 -2.361 7.011 1.00 0.00 H new ATOM 674 N VAL A 48 -1.973 -2.102 5.541 1.00 0.00 N ATOM 675 CA VAL A 48 -2.619 -3.103 4.701 1.00 0.00 C ATOM 676 C VAL A 48 -1.625 -4.170 4.257 1.00 0.00 C ATOM 677 O VAL A 48 -1.772 -5.345 4.589 1.00 0.00 O ATOM 678 CB VAL A 48 -3.264 -2.472 3.457 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.248 -3.438 2.816 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.947 -1.158 3.808 1.00 0.00 C ATOM 0 H VAL A 48 -1.111 -1.721 5.151 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.400 -3.562 5.307 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.475 -2.259 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.694 -2.973 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.725 -4.347 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.032 -3.687 3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.396 -0.730 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.723 -1.339 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.212 -0.462 4.213 1.00 0.00 H new ATOM 690 N ALA A 49 -0.612 -3.752 3.506 1.00 0.00 N ATOM 691 CA ALA A 49 0.406 -4.674 3.020 1.00 0.00 C ATOM 692 C ALA A 49 1.736 -3.963 2.814 1.00 0.00 C ATOM 693 O ALA A 49 1.799 -2.914 2.174 1.00 0.00 O ATOM 694 CB ALA A 49 -0.050 -5.333 1.727 1.00 0.00 C ATOM 0 H ALA A 49 -0.475 -2.782 3.221 1.00 0.00 H new ATOM 0 HA ALA A 49 0.551 -5.447 3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.721 -6.019 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.973 -5.885 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.226 -4.568 0.971 1.00 0.00 H new ATOM 700 N ALA A 50 2.799 -4.539 3.365 1.00 0.00 N ATOM 701 CA ALA A 50 4.128 -3.956 3.244 1.00 0.00 C ATOM 702 C ALA A 50 5.135 -4.973 2.729 1.00 0.00 C ATOM 703 O ALA A 50 5.053 -6.157 3.042 1.00 0.00 O ATOM 704 CB ALA A 50 4.576 -3.395 4.582 1.00 0.00 C ATOM 0 H ALA A 50 2.765 -5.408 3.899 1.00 0.00 H new ATOM 0 HA ALA A 50 4.076 -3.144 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.571 -2.962 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.876 -2.625 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.603 -4.195 5.321 1.00 0.00 H new ATOM 710 N ILE A 51 6.088 -4.503 1.936 1.00 0.00 N ATOM 711 CA ILE A 51 7.112 -5.373 1.377 1.00 0.00 C ATOM 712 C ILE A 51 8.509 -4.843 1.670 1.00 0.00 C ATOM 713 O ILE A 51 8.747 -3.633 1.644 1.00 0.00 O ATOM 714 CB ILE A 51 6.942 -5.531 -0.146 1.00 0.00 C ATOM 715 CG1 ILE A 51 7.958 -6.536 -0.695 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.082 -4.184 -0.844 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.861 -6.742 -2.190 1.00 0.00 C ATOM 0 H ILE A 51 6.173 -3.523 1.665 1.00 0.00 H new ATOM 0 HA ILE A 51 6.992 -6.346 1.853 1.00 0.00 H new ATOM 0 HB ILE A 51 5.941 -5.913 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.963 -6.195 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.815 -7.494 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.959 -4.317 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.318 -3.501 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.069 -3.770 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.611 -7.467 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.868 -7.114 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.034 -5.794 -2.700 1.00 0.00 H new ATOM 729 N ASN A 52 9.430 -5.760 1.943 1.00 0.00 N ATOM 730 CA ASN A 52 10.809 -5.394 2.237 1.00 0.00 C ATOM 731 C ASN A 52 11.629 -5.303 0.954 1.00 0.00 C ATOM 732 O ASN A 52 11.076 -5.230 -0.144 1.00 0.00 O ATOM 733 CB ASN A 52 11.435 -6.407 3.190 1.00 0.00 C ATOM 734 CG ASN A 52 12.346 -5.758 4.214 1.00 0.00 C ATOM 735 OD1 ASN A 52 11.827 -5.549 5.419 1.00 0.00 O flip ATOM 736 ND2 ASN A 52 13.502 -5.447 3.926 1.00 0.00 N flip ATOM 0 H ASN A 52 9.246 -6.763 1.967 1.00 0.00 H new ATOM 0 HA ASN A 52 10.807 -4.415 2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.644 -6.952 3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.003 -7.138 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.860 -5.626 2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.102 -5.010 4.626 1.00 0.00 H new ATOM 800 N ARG A 57 9.960 -11.350 3.158 1.00 0.00 N ATOM 801 CA ARG A 57 8.871 -11.302 2.191 1.00 0.00 C ATOM 802 C ARG A 57 7.978 -10.078 2.434 1.00 0.00 C ATOM 803 O ARG A 57 8.474 -9.002 2.776 1.00 0.00 O ATOM 804 CB ARG A 57 8.059 -12.600 2.264 1.00 0.00 C ATOM 805 CG ARG A 57 7.461 -13.021 0.930 1.00 0.00 C ATOM 806 CD ARG A 57 7.974 -14.384 0.491 1.00 0.00 C ATOM 807 NE ARG A 57 7.611 -14.686 -0.892 1.00 0.00 N ATOM 808 CZ ARG A 57 8.244 -14.185 -1.950 1.00 0.00 C ATOM 809 NH1 ARG A 57 9.269 -13.358 -1.790 1.00 0.00 N ATOM 810 NH2 ARG A 57 7.850 -14.512 -3.174 1.00 0.00 N ATOM 0 HA ARG A 57 9.291 -11.207 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.701 -13.400 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.255 -12.475 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.374 -13.049 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.705 -12.278 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.059 -14.414 0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.568 -15.153 1.148 1.00 0.00 H new ATOM 0 HE ARG A 57 6.827 -15.317 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.576 -13.102 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.750 -12.978 -2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.062 -15.147 -3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.335 -14.128 -3.985 1.00 0.00 H new ATOM 824 N THR A 58 6.665 -10.237 2.250 1.00 0.00 N ATOM 825 CA THR A 58 5.729 -9.137 2.449 1.00 0.00 C ATOM 826 C THR A 58 5.082 -9.206 3.830 1.00 0.00 C ATOM 827 O THR A 58 5.374 -10.102 4.623 1.00 0.00 O ATOM 828 CB THR A 58 4.649 -9.155 1.364 1.00 0.00 C ATOM 829 OG1 THR A 58 4.964 -10.095 0.353 1.00 0.00 O ATOM 830 CG2 THR A 58 4.453 -7.811 0.696 1.00 0.00 C ATOM 0 H THR A 58 6.231 -11.115 1.965 1.00 0.00 H new ATOM 0 HA THR A 58 6.289 -8.204 2.381 1.00 0.00 H new ATOM 0 HB THR A 58 3.728 -9.427 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.260 -10.091 -0.329 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.674 -7.892 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.158 -7.073 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.386 -7.499 0.227 1.00 0.00 H new ATOM 838 N TYR A 59 4.207 -8.247 4.107 1.00 0.00 N ATOM 839 CA TYR A 59 3.513 -8.174 5.383 1.00 0.00 C ATOM 840 C TYR A 59 2.055 -7.774 5.180 1.00 0.00 C ATOM 841 O TYR A 59 1.727 -6.588 5.166 1.00 0.00 O ATOM 842 CB TYR A 59 4.211 -7.161 6.292 1.00 0.00 C ATOM 843 CG TYR A 59 3.431 -6.814 7.542 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.388 -7.683 8.625 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.734 -5.616 7.633 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.672 -7.366 9.765 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.016 -5.292 8.769 1.00 0.00 C ATOM 848 CZ TYR A 59 1.989 -6.170 9.831 1.00 0.00 C ATOM 849 OH TYR A 59 1.276 -5.851 10.964 1.00 0.00 O ATOM 0 H TYR A 59 3.961 -7.502 3.455 1.00 0.00 H new ATOM 0 HA TYR A 59 3.538 -9.158 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.184 -7.559 6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.396 -6.248 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.922 -8.621 8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.753 -4.926 6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.648 -8.052 10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.479 -4.356 8.824 1.00 0.00 H new ATOM 0 HH TYR A 59 0.854 -4.974 10.849 1.00 0.00 H new ATOM 859 N TYR A 60 1.187 -8.767 5.024 1.00 0.00 N ATOM 860 CA TYR A 60 -0.230 -8.517 4.823 1.00 0.00 C ATOM 861 C TYR A 60 -0.908 -8.143 6.137 1.00 0.00 C ATOM 862 O TYR A 60 -0.406 -8.456 7.217 1.00 0.00 O ATOM 863 CB TYR A 60 -0.894 -9.754 4.224 1.00 0.00 C ATOM 864 CG TYR A 60 -0.460 -10.048 2.805 1.00 0.00 C ATOM 865 CD1 TYR A 60 -0.658 -9.118 1.792 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.149 -11.253 2.481 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.261 -9.382 0.494 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.549 -11.524 1.186 1.00 0.00 C ATOM 869 CZ TYR A 60 0.342 -10.586 0.197 1.00 0.00 C ATOM 870 OH TYR A 60 0.739 -10.852 -1.094 1.00 0.00 O ATOM 0 H TYR A 60 1.443 -9.754 5.033 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.339 -7.680 4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.667 -10.617 4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.976 -9.621 4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.129 -8.174 2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.313 -11.990 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.422 -8.649 -0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.021 -12.466 0.950 1.00 0.00 H new ATOM 0 HH TYR A 60 1.147 -11.742 -1.134 1.00 0.00 H new ATOM 880 N ALA A 61 -2.049 -7.469 6.039 1.00 0.00 N ATOM 881 CA ALA A 61 -2.793 -7.051 7.221 1.00 0.00 C ATOM 882 C ALA A 61 -4.148 -7.748 7.294 1.00 0.00 C ATOM 883 O ALA A 61 -4.557 -8.433 6.356 1.00 0.00 O ATOM 884 CB ALA A 61 -2.974 -5.541 7.223 1.00 0.00 C ATOM 0 H ALA A 61 -2.478 -7.201 5.153 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.219 -7.339 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.531 -5.243 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.997 -5.057 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.524 -5.239 6.331 1.00 0.00 H new ATOM 890 N SER A 62 -4.841 -7.568 8.413 1.00 0.00 N ATOM 891 CA SER A 62 -6.147 -8.181 8.604 1.00 0.00 C ATOM 892 C SER A 62 -7.180 -7.538 7.689 1.00 0.00 C ATOM 893 O SER A 62 -7.057 -6.370 7.321 1.00 0.00 O ATOM 894 CB SER A 62 -6.587 -8.059 10.063 1.00 0.00 C ATOM 895 OG SER A 62 -5.473 -8.110 10.938 1.00 0.00 O ATOM 0 H SER A 62 -4.520 -7.003 9.199 1.00 0.00 H new ATOM 0 HA SER A 62 -6.068 -9.238 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.124 -7.121 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.281 -8.864 10.305 1.00 0.00 H new ATOM 0 HG SER A 62 -5.781 -8.028 11.865 1.00 0.00 H new ATOM 901 N SER A 63 -8.188 -8.323 7.309 1.00 0.00 N ATOM 902 CA SER A 63 -9.249 -7.860 6.414 1.00 0.00 C ATOM 903 C SER A 63 -8.822 -8.003 4.954 1.00 0.00 C ATOM 904 O SER A 63 -9.639 -7.869 4.044 1.00 0.00 O ATOM 905 CB SER A 63 -9.630 -6.404 6.710 1.00 0.00 C ATOM 906 OG SER A 63 -10.992 -6.162 6.405 1.00 0.00 O ATOM 0 H SER A 63 -8.292 -9.292 7.610 1.00 0.00 H new ATOM 0 HA SER A 63 -10.125 -8.485 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.444 -6.183 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.999 -5.734 6.127 1.00 0.00 H new ATOM 0 HG SER A 63 -11.211 -5.228 6.604 1.00 0.00 H new ATOM 912 N VAL A 64 -7.536 -8.282 4.738 1.00 0.00 N ATOM 913 CA VAL A 64 -7.004 -8.449 3.392 1.00 0.00 C ATOM 914 C VAL A 64 -5.839 -9.440 3.371 1.00 0.00 C ATOM 915 O VAL A 64 -5.117 -9.536 2.379 1.00 0.00 O ATOM 916 CB VAL A 64 -6.523 -7.108 2.806 1.00 0.00 C ATOM 917 CG1 VAL A 64 -7.702 -6.192 2.519 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.536 -6.438 3.749 1.00 0.00 C ATOM 0 H VAL A 64 -6.846 -8.396 5.480 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.820 -8.837 2.782 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.014 -7.308 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.339 -5.251 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.368 -6.671 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.245 -5.997 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.207 -5.492 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.018 -6.252 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.674 -7.089 3.896 1.00 0.00 H new ATOM 928 N ARG A 65 -5.655 -10.174 4.469 1.00 0.00 N ATOM 929 CA ARG A 65 -4.586 -11.141 4.568 1.00 0.00 C ATOM 930 C ARG A 65 -4.880 -12.355 3.708 1.00 0.00 C ATOM 931 O ARG A 65 -5.325 -13.395 4.193 1.00 0.00 O ATOM 932 CB ARG A 65 -4.397 -11.552 6.022 1.00 0.00 C ATOM 933 CG ARG A 65 -2.954 -11.834 6.388 1.00 0.00 C ATOM 934 CD ARG A 65 -2.796 -12.131 7.871 1.00 0.00 C ATOM 935 NE ARG A 65 -2.497 -13.540 8.120 1.00 0.00 N ATOM 936 CZ ARG A 65 -3.426 -14.483 8.269 1.00 0.00 C ATOM 937 NH1 ARG A 65 -4.715 -14.177 8.188 1.00 0.00 N ATOM 938 NH2 ARG A 65 -3.064 -15.738 8.499 1.00 0.00 N ATOM 0 H ARG A 65 -6.241 -10.109 5.301 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.665 -10.685 4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.779 -10.761 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.994 -12.442 6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.590 -12.681 5.807 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.337 -10.976 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.997 -11.513 8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.712 -11.857 8.395 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.518 -13.818 8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.000 -13.214 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.420 -14.905 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.075 -15.980 8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.774 -16.461 8.613 1.00 0.00 H new ATOM 952 N GLY A 66 -4.635 -12.194 2.423 1.00 0.00 N ATOM 953 CA GLY A 66 -4.877 -13.254 1.471 1.00 0.00 C ATOM 954 C GLY A 66 -5.850 -12.829 0.390 1.00 0.00 C ATOM 955 O GLY A 66 -6.219 -13.625 -0.473 1.00 0.00 O ATOM 0 H GLY A 66 -4.267 -11.335 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.934 -13.554 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.271 -14.127 1.992 1.00 0.00 H new ATOM 959 N ARG A 67 -6.269 -11.566 0.441 1.00 0.00 N ATOM 960 CA ARG A 67 -7.208 -11.034 -0.539 1.00 0.00 C ATOM 961 C ARG A 67 -6.515 -10.067 -1.495 1.00 0.00 C ATOM 962 O ARG A 67 -6.771 -10.081 -2.699 1.00 0.00 O ATOM 963 CB ARG A 67 -8.367 -10.327 0.167 1.00 0.00 C ATOM 964 CG ARG A 67 -8.928 -11.108 1.345 1.00 0.00 C ATOM 965 CD ARG A 67 -10.294 -10.588 1.766 1.00 0.00 C ATOM 966 NE ARG A 67 -10.336 -9.126 1.814 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.732 -8.357 0.800 1.00 0.00 C ATOM 968 NH1 ARG A 67 -11.120 -8.899 -0.348 1.00 0.00 N ATOM 969 NH2 ARG A 67 -10.738 -7.038 0.936 1.00 0.00 N ATOM 0 H ARG A 67 -5.973 -10.895 1.150 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.598 -11.870 -1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.028 -9.352 0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.165 -10.148 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.006 -12.162 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.238 -11.042 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.050 -10.949 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.548 -10.990 2.747 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.044 -8.667 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.117 -9.913 -0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.421 -8.302 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.440 -6.615 1.815 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.041 -6.447 0.162 1.00 0.00 H new ATOM 983 N PHE A 68 -5.640 -9.228 -0.952 1.00 0.00 N ATOM 984 CA PHE A 68 -4.915 -8.254 -1.757 1.00 0.00 C ATOM 985 C PHE A 68 -3.555 -8.797 -2.184 1.00 0.00 C ATOM 986 O PHE A 68 -2.920 -9.556 -1.452 1.00 0.00 O ATOM 987 CB PHE A 68 -4.736 -6.950 -0.975 1.00 0.00 C ATOM 988 CG PHE A 68 -6.013 -6.177 -0.760 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.242 -6.698 -1.146 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.980 -4.925 -0.167 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.407 -5.983 -0.945 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.143 -4.207 0.036 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.358 -4.736 -0.353 1.00 0.00 C ATOM 0 H PHE A 68 -5.416 -9.203 0.043 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.500 -8.056 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.296 -7.179 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.026 -6.316 -1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.287 -7.673 -1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.034 -4.505 0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.356 -6.399 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.102 -3.232 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.268 -4.176 -0.195 1.00 0.00 H new ATOM 1003 N THR A 69 -3.113 -8.401 -3.375 1.00 0.00 N ATOM 1004 CA THR A 69 -1.828 -8.846 -3.902 1.00 0.00 C ATOM 1005 C THR A 69 -0.793 -7.731 -3.818 1.00 0.00 C ATOM 1006 O THR A 69 -1.139 -6.553 -3.738 1.00 0.00 O ATOM 1007 CB THR A 69 -1.980 -9.309 -5.351 1.00 0.00 C ATOM 1008 OG1 THR A 69 -3.152 -10.089 -5.508 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.810 -10.135 -5.842 1.00 0.00 C ATOM 0 H THR A 69 -3.627 -7.773 -3.993 1.00 0.00 H new ATOM 0 HA THR A 69 -1.484 -9.684 -3.295 1.00 0.00 H new ATOM 0 HB THR A 69 -2.032 -8.395 -5.942 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.079 -10.629 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.982 -10.431 -6.877 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.104 -9.544 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.708 -11.026 -5.222 1.00 0.00 H new ATOM 1017 N ILE A 70 0.478 -8.115 -3.830 1.00 0.00 N ATOM 1018 CA ILE A 70 1.569 -7.153 -3.746 1.00 0.00 C ATOM 1019 C ILE A 70 2.762 -7.600 -4.587 1.00 0.00 C ATOM 1020 O ILE A 70 3.104 -8.782 -4.618 1.00 0.00 O ATOM 1021 CB ILE A 70 2.012 -6.963 -2.283 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.156 -5.949 -2.181 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.417 -8.298 -1.680 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.683 -4.514 -2.113 1.00 0.00 C ATOM 0 H ILE A 70 0.778 -9.087 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 70 1.203 -6.204 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 70 1.168 -6.568 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.750 -6.170 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.814 -6.067 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.728 -8.151 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.570 -8.983 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.244 -8.719 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.544 -3.850 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.114 -4.275 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.049 -4.381 -1.236 1.00 0.00 H new ATOM 1036 N SER A 71 3.392 -6.646 -5.265 1.00 0.00 N ATOM 1037 CA SER A 71 4.549 -6.938 -6.106 1.00 0.00 C ATOM 1038 C SER A 71 5.436 -5.705 -6.249 1.00 0.00 C ATOM 1039 O SER A 71 4.943 -4.594 -6.432 1.00 0.00 O ATOM 1040 CB SER A 71 4.095 -7.419 -7.485 1.00 0.00 C ATOM 1041 OG SER A 71 3.954 -8.829 -7.513 1.00 0.00 O ATOM 0 H SER A 71 3.121 -5.663 -5.249 1.00 0.00 H new ATOM 0 HA SER A 71 5.128 -7.728 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.145 -6.950 -7.742 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.819 -7.108 -8.238 1.00 0.00 H new ATOM 0 HG SER A 71 3.647 -9.145 -6.637 1.00 0.00 H new ATOM 1047 N ARG A 72 6.747 -5.907 -6.160 1.00 0.00 N ATOM 1048 CA ARG A 72 7.697 -4.806 -6.277 1.00 0.00 C ATOM 1049 C ARG A 72 8.124 -4.595 -7.729 1.00 0.00 C ATOM 1050 O ARG A 72 8.128 -5.532 -8.527 1.00 0.00 O ATOM 1051 CB ARG A 72 8.922 -5.062 -5.387 1.00 0.00 C ATOM 1052 CG ARG A 72 9.996 -5.934 -6.027 1.00 0.00 C ATOM 1053 CD ARG A 72 9.467 -7.315 -6.386 1.00 0.00 C ATOM 1054 NE ARG A 72 8.947 -8.025 -5.218 1.00 0.00 N ATOM 1055 CZ ARG A 72 8.912 -9.352 -5.107 1.00 0.00 C ATOM 1056 NH1 ARG A 72 9.354 -10.123 -6.094 1.00 0.00 N ATOM 1057 NH2 ARG A 72 8.429 -9.910 -4.005 1.00 0.00 N ATOM 0 H ARG A 72 7.175 -6.820 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 72 7.202 -3.896 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.364 -4.104 -5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.591 -5.535 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.373 -5.445 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.838 -6.035 -5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.678 -7.218 -7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.265 -7.902 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 72 8.589 -7.470 -4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.724 -9.700 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.324 -11.138 -6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.085 -9.323 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.401 -10.926 -3.918 1.00 0.00 H new ATOM 1071 N ASP A 73 8.486 -3.358 -8.062 1.00 0.00 N ATOM 1072 CA ASP A 73 8.918 -3.026 -9.415 1.00 0.00 C ATOM 1073 C ASP A 73 10.400 -3.331 -9.600 1.00 0.00 C ATOM 1074 O ASP A 73 10.826 -3.769 -10.669 1.00 0.00 O ATOM 1075 CB ASP A 73 8.649 -1.550 -9.718 1.00 0.00 C ATOM 1076 CG ASP A 73 8.731 -1.240 -11.199 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.612 -2.182 -12.011 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.913 -0.054 -11.548 1.00 0.00 O ATOM 0 H ASP A 73 8.488 -2.571 -7.413 1.00 0.00 H new ATOM 0 HA ASP A 73 8.346 -3.640 -10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.660 -1.280 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.370 -0.934 -9.180 1.00 0.00 H new ATOM 1083 N ASN A 74 11.181 -3.097 -8.550 1.00 0.00 N ATOM 1084 CA ASN A 74 12.617 -3.347 -8.593 1.00 0.00 C ATOM 1085 C ASN A 74 13.280 -2.528 -9.698 1.00 0.00 C ATOM 1086 O ASN A 74 14.290 -2.941 -10.270 1.00 0.00 O ATOM 1087 CB ASN A 74 12.889 -4.838 -8.808 1.00 0.00 C ATOM 1088 CG ASN A 74 13.349 -5.532 -7.540 1.00 0.00 C ATOM 1089 OD1 ASN A 74 12.735 -5.180 -6.415 1.00 0.00 O flip ATOM 1090 ND2 ASN A 74 14.245 -6.374 -7.570 1.00 0.00 N flip ATOM 0 H ASN A 74 10.843 -2.734 -7.659 1.00 0.00 H new ATOM 0 HA ASN A 74 13.044 -3.042 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.983 -5.320 -9.174 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.649 -4.958 -9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.690 -6.614 -8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.543 -6.832 -6.709 1.00 0.00 H new ATOM 1097 N ALA A 75 12.707 -1.365 -9.992 1.00 0.00 N ATOM 1098 CA ALA A 75 13.242 -0.489 -11.024 1.00 0.00 C ATOM 1099 C ALA A 75 13.491 0.913 -10.480 1.00 0.00 C ATOM 1100 O ALA A 75 14.546 1.503 -10.715 1.00 0.00 O ATOM 1101 CB ALA A 75 12.296 -0.436 -12.215 1.00 0.00 C ATOM 0 H ALA A 75 11.871 -1.009 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 75 14.198 -0.897 -11.352 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.709 0.223 -12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.174 -1.438 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.327 -0.055 -11.893 1.00 0.00 H new ATOM 1107 N LYS A 76 12.514 1.441 -9.749 1.00 0.00 N ATOM 1108 CA LYS A 76 12.630 2.775 -9.171 1.00 0.00 C ATOM 1109 C LYS A 76 12.004 2.822 -7.780 1.00 0.00 C ATOM 1110 O LYS A 76 11.474 3.852 -7.362 1.00 0.00 O ATOM 1111 CB LYS A 76 11.964 3.809 -10.080 1.00 0.00 C ATOM 1112 CG LYS A 76 10.457 3.635 -10.202 1.00 0.00 C ATOM 1113 CD LYS A 76 9.711 4.873 -9.730 1.00 0.00 C ATOM 1114 CE LYS A 76 9.307 5.759 -10.897 1.00 0.00 C ATOM 1115 NZ LYS A 76 8.072 6.537 -10.602 1.00 0.00 N ATOM 0 H LYS A 76 11.635 0.966 -9.543 1.00 0.00 H new ATOM 0 HA LYS A 76 13.690 3.013 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.176 4.807 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.410 3.748 -11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.197 3.426 -11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.141 2.773 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.822 4.574 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.341 5.439 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.121 6.445 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.145 5.143 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.830 7.128 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.288 5.883 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.234 7.144 -9.773 1.00 0.00 H new ATOM 1129 N LYS A 77 12.070 1.701 -7.068 1.00 0.00 N ATOM 1130 CA LYS A 77 11.511 1.611 -5.724 1.00 0.00 C ATOM 1131 C LYS A 77 10.000 1.825 -5.747 1.00 0.00 C ATOM 1132 O LYS A 77 9.474 2.705 -5.064 1.00 0.00 O ATOM 1133 CB LYS A 77 12.173 2.639 -4.802 1.00 0.00 C ATOM 1134 CG LYS A 77 13.656 2.394 -4.582 1.00 0.00 C ATOM 1135 CD LYS A 77 14.143 3.042 -3.296 1.00 0.00 C ATOM 1136 CE LYS A 77 14.343 4.539 -3.467 1.00 0.00 C ATOM 1137 NZ LYS A 77 14.127 5.280 -2.193 1.00 0.00 N ATOM 0 H LYS A 77 12.506 0.841 -7.401 1.00 0.00 H new ATOM 0 HA LYS A 77 11.711 0.610 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.037 3.634 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.665 2.630 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.847 1.322 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.220 2.790 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.422 2.859 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.082 2.581 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.352 4.731 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.654 4.913 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.273 6.297 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.156 5.119 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.801 4.942 -1.476 1.00 0.00 H new ATOM 1151 N THR A 78 9.306 1.012 -6.538 1.00 0.00 N ATOM 1152 CA THR A 78 7.855 1.110 -6.651 1.00 0.00 C ATOM 1153 C THR A 78 7.182 -0.158 -6.133 1.00 0.00 C ATOM 1154 O THR A 78 7.747 -1.249 -6.206 1.00 0.00 O ATOM 1155 CB THR A 78 7.449 1.361 -8.106 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.942 2.610 -8.555 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.950 1.353 -8.326 1.00 0.00 C ATOM 0 H THR A 78 9.725 0.279 -7.110 1.00 0.00 H new ATOM 0 HA THR A 78 7.525 1.950 -6.041 1.00 0.00 H new ATOM 0 HB THR A 78 7.884 0.536 -8.670 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.238 3.140 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.736 1.537 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.545 0.383 -8.038 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.489 2.133 -7.720 1.00 0.00 H new ATOM 1165 N VAL A 79 5.969 -0.002 -5.614 1.00 0.00 N ATOM 1166 CA VAL A 79 5.211 -1.128 -5.086 1.00 0.00 C ATOM 1167 C VAL A 79 3.810 -1.170 -5.685 1.00 0.00 C ATOM 1168 O VAL A 79 3.112 -0.157 -5.729 1.00 0.00 O ATOM 1169 CB VAL A 79 5.104 -1.063 -3.553 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.482 -1.165 -2.917 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.395 0.213 -3.114 1.00 0.00 C ATOM 0 H VAL A 79 5.490 0.896 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 79 5.750 -2.034 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 79 4.509 -1.911 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.387 -1.117 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.944 -2.111 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.104 -0.340 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.331 0.238 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.956 1.080 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.391 0.235 -3.537 1.00 0.00 H new ATOM 1181 N TYR A 80 3.403 -2.347 -6.148 1.00 0.00 N ATOM 1182 CA TYR A 80 2.085 -2.518 -6.747 1.00 0.00 C ATOM 1183 C TYR A 80 1.201 -3.412 -5.887 1.00 0.00 C ATOM 1184 O TYR A 80 1.531 -4.570 -5.634 1.00 0.00 O ATOM 1185 CB TYR A 80 2.210 -3.111 -8.147 1.00 0.00 C ATOM 1186 CG TYR A 80 3.241 -2.429 -8.997 1.00 0.00 C ATOM 1187 CD1 TYR A 80 2.922 -1.305 -9.737 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.536 -2.916 -9.063 1.00 0.00 C ATOM 1189 CE1 TYR A 80 3.867 -0.679 -10.521 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.486 -2.299 -9.843 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.146 -1.180 -10.568 1.00 0.00 C ATOM 1192 OH TYR A 80 6.092 -0.559 -11.350 1.00 0.00 O ATOM 0 H TYR A 80 3.967 -3.196 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 80 1.620 -1.534 -6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.461 -4.168 -8.064 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.243 -3.051 -8.646 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.917 -0.912 -9.700 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.804 -3.794 -8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.605 0.198 -11.094 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.492 -2.690 -9.886 1.00 0.00 H new ATOM 0 HH TYR A 80 5.891 0.398 -11.408 1.00 0.00 H new ATOM 1202 N LEU A 81 0.071 -2.870 -5.447 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.865 -3.624 -4.625 1.00 0.00 C ATOM 1204 C LEU A 81 -2.173 -3.840 -5.384 1.00 0.00 C ATOM 1205 O LEU A 81 -2.907 -2.891 -5.665 1.00 0.00 O ATOM 1206 CB LEU A 81 -1.090 -2.904 -3.280 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.537 -2.528 -2.921 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.802 -2.780 -1.444 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.808 -1.072 -3.270 1.00 0.00 C ATOM 0 H LEU A 81 -0.218 -1.912 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.447 -4.606 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.699 -3.540 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.494 -1.992 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.212 -3.155 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.831 -2.508 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.645 -3.835 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.120 -2.177 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.836 -0.821 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.126 -0.431 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.656 -0.920 -4.339 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.443 -5.096 -5.726 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.644 -5.451 -6.464 1.00 0.00 C ATOM 1223 C GLN A 82 -4.750 -5.919 -5.525 1.00 0.00 C ATOM 1224 O GLN A 82 -4.786 -7.082 -5.123 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.320 -6.547 -7.469 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.137 -6.465 -8.748 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.841 -7.604 -9.703 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -2.897 -7.539 -10.492 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.648 -8.656 -9.638 1.00 0.00 N ATOM 0 H GLN A 82 -1.840 -5.887 -5.501 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.999 -4.564 -6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.261 -6.495 -7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.489 -7.517 -7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.198 -6.472 -8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.933 -5.517 -9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.418 -8.668 -8.969 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.498 -9.453 -10.257 1.00 0.00 H new ATOM 1238 N MET A 83 -5.650 -5.006 -5.178 1.00 0.00 N ATOM 1239 CA MET A 83 -6.756 -5.324 -4.287 1.00 0.00 C ATOM 1240 C MET A 83 -7.899 -5.990 -5.046 1.00 0.00 C ATOM 1241 O MET A 83 -8.813 -5.317 -5.524 1.00 0.00 O ATOM 1242 CB MET A 83 -7.261 -4.056 -3.601 1.00 0.00 C ATOM 1243 CG MET A 83 -6.150 -3.161 -3.092 1.00 0.00 C ATOM 1244 SD MET A 83 -6.448 -1.416 -3.432 1.00 0.00 S ATOM 1245 CE MET A 83 -8.092 -1.215 -2.752 1.00 0.00 C ATOM 0 H MET A 83 -5.634 -4.039 -5.501 1.00 0.00 H new ATOM 0 HA MET A 83 -6.391 -6.022 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.877 -3.494 -4.303 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.903 -4.335 -2.766 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.039 -3.303 -2.017 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.208 -3.461 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.174 -0.234 -2.283 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.829 -1.299 -3.551 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.275 -1.990 -2.007 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.841 -7.313 -5.154 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.869 -8.067 -5.850 1.00 0.00 C ATOM 1257 C ASN A 84 -9.989 -8.456 -4.892 1.00 0.00 C ATOM 1258 O ASN A 84 -9.918 -8.174 -3.696 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.277 -9.324 -6.497 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.759 -9.315 -6.565 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.143 -8.281 -6.820 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.151 -10.474 -6.342 1.00 0.00 N ATOM 0 H ASN A 84 -7.090 -7.884 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.280 -7.431 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.602 -10.199 -5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.677 -9.426 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.133 -10.531 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.702 -11.307 -6.134 1.00 0.00 H new ATOM 1269 N SER A 85 -11.019 -9.113 -5.426 1.00 0.00 N ATOM 1270 CA SER A 85 -12.162 -9.553 -4.627 1.00 0.00 C ATOM 1271 C SER A 85 -12.532 -8.521 -3.562 1.00 0.00 C ATOM 1272 O SER A 85 -12.845 -8.872 -2.424 1.00 0.00 O ATOM 1273 CB SER A 85 -11.847 -10.895 -3.969 1.00 0.00 C ATOM 1274 OG SER A 85 -13.029 -11.642 -3.738 1.00 0.00 O ATOM 0 H SER A 85 -11.084 -9.353 -6.415 1.00 0.00 H new ATOM 0 HA SER A 85 -13.017 -9.665 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.171 -11.466 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.329 -10.727 -3.025 1.00 0.00 H new ATOM 0 HG SER A 85 -12.799 -12.497 -3.318 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.487 -7.247 -3.940 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.809 -6.165 -3.019 1.00 0.00 C ATOM 1282 C LEU A 86 -14.232 -6.301 -2.490 1.00 0.00 C ATOM 1283 O LEU A 86 -15.053 -7.022 -3.057 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.630 -4.810 -3.709 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.686 -3.840 -2.993 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.311 -3.857 -3.641 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.263 -2.432 -2.997 1.00 0.00 C ATOM 0 H LEU A 86 -12.230 -6.940 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.124 -6.226 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.255 -4.980 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.607 -4.337 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.581 -4.164 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.654 -3.162 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.894 -4.863 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.398 -3.559 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.578 -1.757 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.400 -2.098 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.225 -2.432 -2.485 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.513 -5.603 -1.397 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.832 -5.639 -0.779 1.00 0.00 C ATOM 1301 C LYS A 87 -16.359 -4.225 -0.544 1.00 0.00 C ATOM 1302 O LYS A 87 -15.629 -3.248 -0.710 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.768 -6.405 0.544 1.00 0.00 C ATOM 1304 CG LYS A 87 -16.290 -7.829 0.445 1.00 0.00 C ATOM 1305 CD LYS A 87 -15.183 -8.848 0.663 1.00 0.00 C ATOM 1306 CE LYS A 87 -15.507 -10.176 -0.004 1.00 0.00 C ATOM 1307 NZ LYS A 87 -14.770 -11.307 0.623 1.00 0.00 N ATOM 0 H LYS A 87 -13.842 -5.003 -0.918 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.517 -6.151 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.735 -6.428 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.345 -5.866 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.076 -7.981 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.740 -7.985 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.246 -8.459 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.035 -9.003 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.579 -10.362 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.255 -10.121 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.018 -12.194 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.746 -11.143 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.029 -11.376 1.628 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.640 -4.095 -0.155 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.260 -2.791 0.098 1.00 0.00 C ATOM 1323 C PRO A 88 -17.863 -2.190 1.446 1.00 0.00 C ATOM 1324 O PRO A 88 -18.449 -1.201 1.887 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.753 -3.112 0.078 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.835 -4.520 0.557 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.589 -5.207 0.061 1.00 0.00 C ATOM 0 HA PRO A 88 -17.949 -2.047 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.313 -2.438 0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.168 -3.008 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.894 -4.558 1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.729 -5.010 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.209 -5.922 0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.776 -5.759 -0.860 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.869 -2.786 2.096 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.403 -2.300 3.389 1.00 0.00 C ATOM 1337 C GLU A 89 -14.916 -1.948 3.348 1.00 0.00 C ATOM 1338 O GLU A 89 -14.299 -1.713 4.388 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.660 -3.350 4.471 1.00 0.00 C ATOM 1340 CG GLU A 89 -18.062 -3.938 4.429 1.00 0.00 C ATOM 1341 CD GLU A 89 -18.065 -5.450 4.540 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -17.087 -6.081 4.087 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -19.046 -6.004 5.080 1.00 0.00 O ATOM 0 H GLU A 89 -16.371 -3.606 1.749 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.960 -1.393 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.934 -4.156 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -16.493 -2.899 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.653 -3.517 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.547 -3.645 3.498 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.342 -1.911 2.147 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.930 -1.586 1.986 1.00 0.00 C ATOM 1352 C ASP A 90 -12.733 -0.106 1.664 1.00 0.00 C ATOM 1353 O ASP A 90 -11.623 0.416 1.769 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.311 -2.443 0.880 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.776 -3.763 1.400 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.850 -3.740 2.238 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -12.282 -4.820 0.969 1.00 0.00 O ATOM 0 H ASP A 90 -14.834 -2.102 1.274 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.431 -1.799 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.060 -2.635 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.502 -1.888 0.405 1.00 0.00 H new ATOM 1362 N THR A 91 -13.813 0.569 1.269 1.00 0.00 N ATOM 1363 CA THR A 91 -13.756 1.982 0.932 1.00 0.00 C ATOM 1364 C THR A 91 -13.042 2.787 2.018 1.00 0.00 C ATOM 1365 O THR A 91 -13.538 2.916 3.137 1.00 0.00 O ATOM 1366 CB THR A 91 -15.176 2.499 0.729 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.788 1.833 -0.359 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.253 3.988 0.467 1.00 0.00 C ATOM 0 H THR A 91 -14.740 0.153 1.176 1.00 0.00 H new ATOM 0 HA THR A 91 -13.184 2.103 0.012 1.00 0.00 H new ATOM 0 HB THR A 91 -15.695 2.298 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.743 2.052 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.294 4.280 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.830 4.529 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.690 4.228 -0.435 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.873 3.323 1.676 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.089 4.114 2.618 1.00 0.00 C ATOM 1378 C ALA A 92 -9.924 4.803 1.915 1.00 0.00 C ATOM 1379 O ALA A 92 -9.673 4.565 0.734 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.579 3.232 3.748 1.00 0.00 C ATOM 0 H ALA A 92 -11.449 3.223 0.754 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.735 4.885 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.995 3.834 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.425 2.788 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.951 2.441 3.337 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.213 5.658 2.646 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.079 6.375 2.089 1.00 0.00 C ATOM 1388 C VAL A 93 -6.829 5.496 2.079 1.00 0.00 C ATOM 1389 O VAL A 93 -6.227 5.241 3.119 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.819 7.673 2.880 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.189 7.385 4.235 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -6.957 8.631 2.072 1.00 0.00 C ATOM 0 H VAL A 93 -9.406 5.868 3.625 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.318 6.638 1.058 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.782 8.149 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.020 8.323 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.857 6.753 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.238 6.872 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.785 9.540 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -6.001 8.158 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.466 8.882 1.141 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.452 5.022 0.896 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.293 4.166 0.753 1.00 0.00 C ATOM 1404 C TYR A 94 -4.015 4.991 0.651 1.00 0.00 C ATOM 1405 O TYR A 94 -3.681 5.507 -0.415 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.466 3.298 -0.487 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.250 2.029 -0.237 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.638 2.052 -0.175 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.606 0.811 -0.062 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.362 0.898 0.054 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.323 -0.349 0.167 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.701 -0.300 0.224 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.419 -1.452 0.453 1.00 0.00 O ATOM 0 H TYR A 94 -6.939 5.221 0.022 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.208 3.531 1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.970 3.879 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.482 3.036 -0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.160 2.988 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.528 0.769 -0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.440 0.934 0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.807 -1.288 0.301 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.294 -1.385 0.016 1.00 0.00 H new ATOM 1423 N THR A 95 -3.305 5.114 1.766 1.00 0.00 N ATOM 1424 CA THR A 95 -2.064 5.879 1.797 1.00 0.00 C ATOM 1425 C THR A 95 -0.858 4.951 1.857 1.00 0.00 C ATOM 1426 O THR A 95 -0.789 4.066 2.706 1.00 0.00 O ATOM 1427 CB THR A 95 -2.056 6.828 2.996 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.319 7.450 3.151 1.00 0.00 O ATOM 1429 CG2 THR A 95 -1.015 7.921 2.886 1.00 0.00 C ATOM 0 H THR A 95 -3.566 4.695 2.659 1.00 0.00 H new ATOM 0 HA THR A 95 -2.002 6.466 0.880 1.00 0.00 H new ATOM 0 HB THR A 95 -1.815 6.205 3.857 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.295 8.052 3.924 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.063 8.559 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.024 7.473 2.815 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.208 8.519 1.995 1.00 0.00 H new ATOM 1437 N CYS A 96 0.090 5.155 0.950 1.00 0.00 N ATOM 1438 CA CYS A 96 1.287 4.326 0.908 1.00 0.00 C ATOM 1439 C CYS A 96 2.434 4.974 1.674 1.00 0.00 C ATOM 1440 O CYS A 96 2.594 6.195 1.662 1.00 0.00 O ATOM 1441 CB CYS A 96 1.707 4.063 -0.538 1.00 0.00 C ATOM 1442 SG CYS A 96 1.897 5.567 -1.546 1.00 0.00 S ATOM 0 H CYS A 96 0.053 5.884 0.237 1.00 0.00 H new ATOM 0 HA CYS A 96 1.049 3.376 1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.651 3.518 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.966 3.416 -1.008 1.00 0.00 H new ATOM 1447 N GLY A 97 3.230 4.142 2.336 1.00 0.00 N ATOM 1448 CA GLY A 97 4.358 4.638 3.098 1.00 0.00 C ATOM 1449 C GLY A 97 5.579 3.754 2.952 1.00 0.00 C ATOM 1450 O GLY A 97 5.584 2.820 2.151 1.00 0.00 O ATOM 0 H GLY A 97 3.112 3.129 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.601 5.648 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.083 4.704 4.151 1.00 0.00 H new ATOM 1454 N ALA A 98 6.617 4.049 3.725 1.00 0.00 N ATOM 1455 CA ALA A 98 7.848 3.272 3.672 1.00 0.00 C ATOM 1456 C ALA A 98 8.487 3.156 5.048 1.00 0.00 C ATOM 1457 O ALA A 98 8.118 3.871 5.980 1.00 0.00 O ATOM 1458 CB ALA A 98 8.819 3.898 2.684 1.00 0.00 C ATOM 0 H ALA A 98 6.631 4.819 4.394 1.00 0.00 H new ATOM 0 HA ALA A 98 7.601 2.265 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.736 3.309 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.366 3.919 1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.052 4.916 2.998 1.00 0.00 H new ATOM 1464 N GLY A 99 9.447 2.247 5.169 1.00 0.00 N ATOM 1465 CA GLY A 99 10.124 2.049 6.435 1.00 0.00 C ATOM 1466 C GLY A 99 11.529 2.616 6.441 1.00 0.00 C ATOM 1467 O GLY A 99 12.041 3.036 5.404 1.00 0.00 O ATOM 0 H GLY A 99 9.768 1.643 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.544 2.518 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.166 0.983 6.657 1.00 0.00 H new ATOM 1471 N GLU A 100 12.151 2.627 7.615 1.00 0.00 N ATOM 1472 CA GLU A 100 13.507 3.144 7.761 1.00 0.00 C ATOM 1473 C GLU A 100 14.125 2.668 9.071 1.00 0.00 C ATOM 1474 O GLU A 100 13.654 3.016 10.155 1.00 0.00 O ATOM 1475 CB GLU A 100 13.504 4.673 7.709 1.00 0.00 C ATOM 1476 CG GLU A 100 13.823 5.237 6.334 1.00 0.00 C ATOM 1477 CD GLU A 100 15.210 5.845 6.260 1.00 0.00 C ATOM 1478 OE1 GLU A 100 16.196 5.099 6.438 1.00 0.00 O ATOM 1479 OE2 GLU A 100 15.310 7.068 6.024 1.00 0.00 O ATOM 0 H GLU A 100 11.737 2.283 8.481 1.00 0.00 H new ATOM 0 HA GLU A 100 14.107 2.765 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.526 5.037 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.231 5.054 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.738 4.444 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.084 5.995 6.076 1.00 0.00 H new ATOM 1486 N GLY A 101 15.180 1.868 8.965 1.00 0.00 N ATOM 1487 CA GLY A 101 15.845 1.353 10.142 1.00 0.00 C ATOM 1488 C GLY A 101 14.940 0.483 10.995 1.00 0.00 C ATOM 1489 O GLY A 101 15.247 0.210 12.155 1.00 0.00 O ATOM 0 H GLY A 101 15.586 1.567 8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 101 16.716 0.774 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 101 16.210 2.187 10.741 1.00 0.00 H new ATOM 1493 N GLY A 102 13.822 0.048 10.421 1.00 0.00 N ATOM 1494 CA GLY A 102 12.890 -0.789 11.154 1.00 0.00 C ATOM 1495 C GLY A 102 11.599 -0.066 11.489 1.00 0.00 C ATOM 1496 O GLY A 102 10.610 -0.694 11.865 1.00 0.00 O ATOM 0 H GLY A 102 13.545 0.260 9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.663 -1.677 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 102 13.361 -1.131 12.076 1.00 0.00 H new ATOM 1500 N THR A 103 11.608 1.257 11.356 1.00 0.00 N ATOM 1501 CA THR A 103 10.438 2.065 11.649 1.00 0.00 C ATOM 1502 C THR A 103 9.694 2.419 10.364 1.00 0.00 C ATOM 1503 O THR A 103 10.119 2.053 9.269 1.00 0.00 O ATOM 1504 CB THR A 103 10.878 3.338 12.363 1.00 0.00 C ATOM 1505 OG1 THR A 103 11.864 3.050 13.338 1.00 0.00 O ATOM 1506 CG2 THR A 103 9.754 4.079 13.055 1.00 0.00 C ATOM 0 H THR A 103 12.420 1.791 11.045 1.00 0.00 H new ATOM 0 HA THR A 103 9.763 1.497 12.289 1.00 0.00 H new ATOM 0 HB THR A 103 11.269 3.979 11.573 1.00 0.00 H new ATOM 0 HG1 THR A 103 12.135 3.879 13.784 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.150 4.972 13.538 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.002 4.367 12.321 1.00 0.00 H new ATOM 0 HG23 THR A 103 9.299 3.432 13.805 1.00 0.00 H new ATOM 1514 N TRP A 104 8.588 3.138 10.507 1.00 0.00 N ATOM 1515 CA TRP A 104 7.783 3.552 9.364 1.00 0.00 C ATOM 1516 C TRP A 104 7.318 4.995 9.528 1.00 0.00 C ATOM 1517 O TRP A 104 6.283 5.259 10.140 1.00 0.00 O ATOM 1518 CB TRP A 104 6.572 2.634 9.202 1.00 0.00 C ATOM 1519 CG TRP A 104 6.934 1.247 8.773 1.00 0.00 C ATOM 1520 CD1 TRP A 104 7.417 0.247 9.564 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.845 0.708 7.450 1.00 0.00 C ATOM 1522 NE1 TRP A 104 7.630 -0.886 8.815 1.00 0.00 N ATOM 1523 CE2 TRP A 104 7.287 -0.628 7.513 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.433 1.224 6.218 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.327 -1.452 6.390 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.474 0.406 5.105 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.918 -0.920 5.198 1.00 0.00 C ATOM 0 H TRP A 104 8.226 3.448 11.409 1.00 0.00 H new ATOM 0 HA TRP A 104 8.403 3.482 8.470 1.00 0.00 H new ATOM 0 HB2 TRP A 104 6.033 2.585 10.148 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.892 3.068 8.469 1.00 0.00 H new ATOM 0 HD1 TRP A 104 7.605 0.332 10.624 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.985 -1.774 9.170 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.089 2.244 6.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.669 -2.474 6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.159 0.795 4.148 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.938 -1.535 4.310 1.00 0.00 H new ATOM 1538 N ASP A 105 8.091 5.926 8.981 1.00 0.00 N ATOM 1539 CA ASP A 105 7.760 7.344 9.071 1.00 0.00 C ATOM 1540 C ASP A 105 7.557 7.962 7.686 1.00 0.00 C ATOM 1541 O ASP A 105 7.309 9.162 7.566 1.00 0.00 O ATOM 1542 CB ASP A 105 8.858 8.086 9.828 1.00 0.00 C ATOM 1543 CG ASP A 105 8.611 9.581 9.909 1.00 0.00 C ATOM 1544 OD1 ASP A 105 7.490 9.978 10.290 1.00 0.00 O ATOM 1545 OD2 ASP A 105 9.539 10.354 9.590 1.00 0.00 O ATOM 0 H ASP A 105 8.951 5.725 8.471 1.00 0.00 H new ATOM 0 HA ASP A 105 6.820 7.439 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.935 7.680 10.837 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.815 7.907 9.338 1.00 0.00 H new ATOM 1550 N SER A 106 7.658 7.141 6.643 1.00 0.00 N ATOM 1551 CA SER A 106 7.479 7.621 5.277 1.00 0.00 C ATOM 1552 C SER A 106 6.050 7.384 4.800 1.00 0.00 C ATOM 1553 O SER A 106 5.503 6.293 4.965 1.00 0.00 O ATOM 1554 CB SER A 106 8.466 6.926 4.337 1.00 0.00 C ATOM 1555 OG SER A 106 8.990 7.835 3.385 1.00 0.00 O ATOM 0 H SER A 106 7.862 6.144 6.718 1.00 0.00 H new ATOM 0 HA SER A 106 7.672 8.694 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.281 6.492 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.967 6.104 3.823 1.00 0.00 H new ATOM 0 HG SER A 106 9.619 7.367 2.797 1.00 0.00 H new ATOM 1561 N TRP A 107 5.449 8.412 4.209 1.00 0.00 N ATOM 1562 CA TRP A 107 4.082 8.314 3.710 1.00 0.00 C ATOM 1563 C TRP A 107 3.931 9.050 2.383 1.00 0.00 C ATOM 1564 O TRP A 107 4.786 9.848 2.001 1.00 0.00 O ATOM 1565 CB TRP A 107 3.100 8.886 4.733 1.00 0.00 C ATOM 1566 CG TRP A 107 3.328 8.380 6.123 1.00 0.00 C ATOM 1567 CD1 TRP A 107 4.201 8.881 7.042 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.671 7.275 6.752 1.00 0.00 C ATOM 1569 NE1 TRP A 107 4.130 8.154 8.206 1.00 0.00 N ATOM 1570 CE2 TRP A 107 3.197 7.162 8.052 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.688 6.369 6.341 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.773 6.179 8.944 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.268 5.396 7.227 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.810 5.307 8.515 1.00 0.00 C ATOM 0 H TRP A 107 5.887 9.322 4.064 1.00 0.00 H new ATOM 0 HA TRP A 107 3.858 7.259 3.549 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.179 9.973 4.733 1.00 0.00 H new ATOM 0 HB3 TRP A 107 2.083 8.640 4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.853 9.726 6.879 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.681 8.325 9.047 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.265 6.429 5.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.189 6.108 9.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.508 4.692 6.921 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.461 4.534 9.184 1.00 0.00 H new ATOM 1585 N GLY A 108 2.834 8.774 1.687 1.00 0.00 N ATOM 1586 CA GLY A 108 2.582 9.416 0.410 1.00 0.00 C ATOM 1587 C GLY A 108 1.471 10.445 0.488 1.00 0.00 C ATOM 1588 O GLY A 108 1.203 10.998 1.555 1.00 0.00 O ATOM 0 H GLY A 108 2.114 8.116 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.496 9.898 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.320 8.658 -0.329 1.00 0.00 H new ATOM 1592 N GLN A 109 0.821 10.702 -0.643 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.267 11.672 -0.694 1.00 0.00 C ATOM 1594 C GLN A 109 -1.600 11.014 -0.349 1.00 0.00 C ATOM 1595 O GLN A 109 -2.493 11.653 0.207 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.342 12.315 -2.076 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.909 13.725 -2.061 1.00 0.00 C ATOM 1598 CD GLN A 109 0.159 14.786 -2.246 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.043 15.769 -2.959 1.00 0.00 O ATOM 1600 NE2 GLN A 109 1.305 14.591 -1.603 1.00 0.00 N ATOM 0 H GLN A 109 1.029 10.253 -1.535 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.064 12.447 0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.657 12.339 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.958 11.692 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.653 13.822 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.425 13.895 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 109 1.429 13.762 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 109 2.061 15.271 -1.690 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.724 9.732 -0.679 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.948 9.007 -0.392 1.00 0.00 C ATOM 1611 C GLY A 110 -3.876 8.920 -1.588 1.00 0.00 C ATOM 1612 O GLY A 110 -3.883 9.804 -2.445 1.00 0.00 O ATOM 0 H GLY A 110 -0.999 9.183 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.698 8.000 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.469 9.495 0.431 1.00 0.00 H new ATOM 1616 N THR A 111 -4.665 7.852 -1.639 1.00 0.00 N ATOM 1617 CA THR A 111 -5.611 7.644 -2.728 1.00 0.00 C ATOM 1618 C THR A 111 -6.872 6.960 -2.209 1.00 0.00 C ATOM 1619 O THR A 111 -6.846 5.785 -1.842 1.00 0.00 O ATOM 1620 CB THR A 111 -4.973 6.805 -3.841 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.843 6.707 -4.956 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.623 5.398 -3.408 1.00 0.00 C ATOM 0 H THR A 111 -4.667 7.114 -0.935 1.00 0.00 H new ATOM 0 HA THR A 111 -5.883 8.616 -3.140 1.00 0.00 H new ATOM 0 HB THR A 111 -4.052 7.326 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.418 6.169 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.176 4.861 -4.244 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.914 5.438 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.527 4.881 -3.086 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.972 7.702 -2.166 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.233 7.160 -1.676 1.00 0.00 C ATOM 1632 C GLN A 112 -9.774 6.094 -2.620 1.00 0.00 C ATOM 1633 O GLN A 112 -9.677 6.216 -3.841 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.258 8.287 -1.475 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.719 7.850 -1.515 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.266 7.542 -0.138 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.453 6.895 0.685 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.405 7.881 0.182 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.016 8.677 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.050 6.686 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.065 8.766 -0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.100 9.042 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.318 8.636 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.814 6.967 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.996 8.378 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.758 7.665 1.114 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.346 5.051 -2.035 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.911 3.954 -2.798 1.00 0.00 C ATOM 1649 C VAL A 113 -12.401 3.813 -2.500 1.00 0.00 C ATOM 1650 O VAL A 113 -12.802 3.707 -1.342 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.189 2.638 -2.457 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.945 1.433 -3.000 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.764 2.663 -2.989 1.00 0.00 C ATOM 0 H VAL A 113 -10.430 4.944 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.778 4.169 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.155 2.544 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.408 0.520 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.943 1.403 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.025 1.512 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.266 1.726 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.782 2.788 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.221 3.493 -2.537 1.00 0.00 H new ATOM 1663 N THR A 114 -13.216 3.819 -3.549 1.00 0.00 N ATOM 1664 CA THR A 114 -14.657 3.696 -3.393 1.00 0.00 C ATOM 1665 C THR A 114 -15.148 2.346 -3.906 1.00 0.00 C ATOM 1666 O THR A 114 -14.651 1.834 -4.910 1.00 0.00 O ATOM 1667 CB THR A 114 -15.365 4.829 -4.136 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.965 6.089 -3.626 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.875 4.756 -4.048 1.00 0.00 C ATOM 0 H THR A 114 -12.902 3.908 -4.515 1.00 0.00 H new ATOM 0 HA THR A 114 -14.892 3.764 -2.331 1.00 0.00 H new ATOM 0 HB THR A 114 -15.074 4.714 -5.180 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.427 6.802 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.312 5.590 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.220 3.817 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.182 4.809 -3.003 1.00 0.00 H new ATOM 1677 N VAL A 115 -16.129 1.778 -3.214 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.693 0.498 -3.596 1.00 0.00 C ATOM 1679 C VAL A 115 -18.207 0.604 -3.706 1.00 0.00 C ATOM 1680 O VAL A 115 -18.803 1.605 -3.307 1.00 0.00 O ATOM 1681 CB VAL A 115 -16.333 -0.612 -2.583 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -16.493 -1.987 -3.214 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.916 -0.432 -2.054 1.00 0.00 C ATOM 0 H VAL A 115 -16.549 2.190 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.267 0.231 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 115 -17.022 -0.534 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -16.235 -2.754 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -17.526 -2.123 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.833 -2.070 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.689 -1.227 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -14.210 -0.474 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.833 0.534 -1.556 1.00 0.00 H new ATOM 1693 N SER A 116 -18.820 -0.429 -4.252 1.00 0.00 N ATOM 1694 CA SER A 116 -20.267 -0.463 -4.425 1.00 0.00 C ATOM 1695 C SER A 116 -20.791 -1.894 -4.332 1.00 0.00 C ATOM 1696 O SER A 116 -20.102 -2.784 -3.833 1.00 0.00 O ATOM 1697 CB SER A 116 -20.651 0.152 -5.774 1.00 0.00 C ATOM 1698 OG SER A 116 -21.778 1.002 -5.646 1.00 0.00 O ATOM 0 H SER A 116 -18.338 -1.263 -4.587 1.00 0.00 H new ATOM 0 HA SER A 116 -20.722 0.121 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.809 0.718 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.869 -0.641 -6.490 1.00 0.00 H new ATOM 0 HG SER A 116 -22.001 1.383 -6.521 1.00 0.00 H new